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

C17H20Cl2N2 — CID 62644202

IUPAC1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2/c1-21(12-13-2-6-15(18)7-3-13)11-10-17(20)14-4-8-16(19)9-5-14/h2-9,17H,10-12,20H2,1H3
InChIKeyCTFUQBUMPJCZLG-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.52
Rot. Bonds6

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

1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 62644202) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID62644202
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Cl)cc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2/c1-21(12-13-2-6-15(18)7-3-13)11-10-17(20)14-4-8-16(19)9-5-14/h2-9,17H,10-12,20H2,1H3
InChIKeyCTFUQBUMPJCZLG-UHFFFAOYSA-N
XLogP4.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
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'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61413647
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
1-(4-chlorophenyl)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-1-ol
CID 62643532
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 62644202) is 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(Cl)cc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is CTFUQBUMPJCZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-21(12-13-2-6-15(18)7-3-13)11-10-17(20)14-4-8-16(19)9-5-14/h2-9,17H,10-12,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 323.27 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62644202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).