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CAS 168902-72-5 7-METHYL-2,3-DIHYDRO-1H-INDEN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 168902-72-5

7-METHYL-2,3-DIHYDRO-1H-INDEN-1-AMINE HYDROCHLORIDE

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250629 100mg In stock Shanghai Inquiry
Batchno.20260109 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250217 1g Out of stock Inquiry
Batchno.20251216 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS168902-72-5
  • Purity/Analytical Methods: >99.0%
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168902-72-5 / 7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 168902-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168902-72-5
Multi CAS
No
Molecular Formula
C10H14ClN
Molecular Weight
183.680000
Exact Mass
183.081477
SMILES
CC1=C2C(CCC2=CC=C1)N.Cl
InChI
InChI=1S/C10H13N.ClH/c1-7-3-2-4-8-5-6-9(11)10(7)8;/h2-4,9H,5-6,11H2,1H3;1H
InChIKey
VDABBOLHZDHZOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.68
TPSA
26.02

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
2.36
Consensus LogP
2.27
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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