N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C19H26N2 — CID 43420040

IUPACN'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(N)CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)17-9-11-18(12-10-17)19(20)14-21(3)13-16-7-5-4-6-8-16/h4-12,15,19H,13-14,20H2,1-3H3
InChIKeyGCZQQVBFVBQVGG-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.94
Rot. Bonds6

About N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 43420040) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID43420040
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCC(C)c1ccc(C(N)CN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)17-9-11-18(12-10-17)19(20)14-21(3)13-16-7-5-4-6-8-16/h4-12,15,19H,13-14,20H2,1-3H3
InChIKeyGCZQQVBFVBQVGG-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
CID 115121461
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
(1R)-N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 112736530
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 43420040) is N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CC(C)c1ccc(C(N)CN(C)Cc2ccccc2)cc1.
What is the InChIKey of N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is GCZQQVBFVBQVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)17-9-11-18(12-10-17)19(20)14-21(3)13-16-7-5-4-6-8-16/h4-12,15,19H,13-14,20H2,1-3H3.
What are the key properties of N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 282.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43420040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).