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CAS 10479-25-1 N-ethyldibenzylamine molecular structure lightbox
CAS RN: 10479-25-1

N-ethyldibenzylamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250706 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10479-25-1
  • Purity/Analytical Methods: >99.0%
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10479-25-1 / N,N-dibenzylethanamine

N-Ethyldibenzylamine | n,n-dibenzylethylamine | ethyldibenzylamine

Standard CAS: 10479-25-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10479-25-1
Multi CAS
Yes
Molecular Formula
C16H19N
Molecular Weight
225.330000
Exact Mass
225.151750
SMILES
CCN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKey
WBGPDYJIPNTOIB-UHFFFAOYSA-N
Synonyms
N-Ethyldibenzylamine n,n-dibenzylethylamine ethyldibenzylamine BX67LJ8BJR N,N-Dibenzyl-N-ethylamine

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
72.67
TPSA
3.24

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.53
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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)
-1.46

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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