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CAS 55538-74-4 N,4-Dimethyl-N-(4-methylphenylmethyl)benzenemethanamine molecular structure lightbox
CAS RN: 55538-74-4

N,4-Dimethyl-N-(4-methylphenylmethyl)benzenemethanamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55538-74-4
  • Purity/Analytical Methods: >99.0%
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55538-74-4 / N-methyl-1-(4-methylphenyl)-N-[(4-methylphenyl)methyl]methanamine

Standard CAS: 55538-74-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55538-74-4
Multi CAS
No
Molecular Formula
C17H21N
Molecular Weight
239.350000
Exact Mass
239.167400
InChI
InChI=1S/C17H21N/c1-14-4-8-16(9-5-14)12-18(3)13-17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3
InChIKey
IRGIOTYYLJUOMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
77.53
TPSA
3.24

LogP / Solubility

WLOGP
3.94
MLOGP
3.47
XLogP3
4
Consensus LogP
3.8
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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)
-1.39

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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