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CAS 55095-22-2 1,1-bis(4-methylphenyl)methanamine molecular structure lightbox
CAS RN: 55095-22-2

1,1-bis(4-methylphenyl)methanamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260313 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55095-22-2
  • Purity/Analytical Methods: >99.0%
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55095-22-2 / bis(4-methylphenyl)methanamine

Standard CAS: 55095-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55095-22-2
Multi CAS
No
Molecular Formula
C15H17N
Molecular Weight
211.300000
Exact Mass
211.136100
InChI
InChI=1S/C15H17N/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10,15H,16H2,1-2H3
InChIKey
KMPMUIHLWYUKCS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.39
TPSA
26.02

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.2
Consensus LogP
3.17
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63

Drug-likeness / Medicinal Chemistry

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

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