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CAS 1416354-38-5 4-(2-Phenylpropan-2-yl)aniline hydrochloride molecular structure lightbox
CAS RN: 1416354-38-5

4-(2-Phenylpropan-2-yl)aniline hydrochloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260407 100mg In stock Shanghai Inquiry
Batchno.20250818 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250507 1g In stock Shanghai Inquiry
Batchno.20250306 250mg In stock Shanghai Inquiry
  • Product code: SSC-052060
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1416354-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1416354-38-5 / 4-(2-phenylpropan-2-yl)aniline;hydrochloride

Standard CAS: 1416354-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1416354-38-5
Multi CAS
No
Molecular Formula
C15H18ClN
Molecular Weight
247.760000
Exact Mass
247.112777
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N.Cl
InChI
InChI=1S/C15H17N.ClH/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h3-11H,16H2,1-2H3;1H
InChIKey
YBRQYYRQXOERRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
76.67
TPSA
26.02

LogP / Solubility

WLOGP
4.02
MLOGP
3.54
XLogP3
4.02
Consensus LogP
3.86
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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