N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine

C17H21ClN2 — CID 61414808

IUPACN'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-20(13-14-7-9-16(18)10-8-14)12-11-17(19)15-5-3-2-4-6-15/h2-10,17H,11-13,19H2,1H3
InChIKeyFDTHURAQVYWKLU-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.86
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine

N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 61414808) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID61414808
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2/c1-20(13-14-7-9-16(18)10-8-14)12-11-17(19)15-5-3-2-4-6-15/h2-10,17H,11-13,19H2,1H3
InChIKeyFDTHURAQVYWKLU-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-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

1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644732
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine (CID 61414808) is N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine is CN(CCC(N)c1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is FDTHURAQVYWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-20(13-14-7-9-16(18)10-8-14)12-11-17(19)15-5-3-2-4-6-15/h2-10,17H,11-13,19H2,1H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 288.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 61414808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).