1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine

C17H20Cl2N2 — CID 62644732

IUPAC1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C17H20Cl2N2/c1-21(12-14-4-2-3-5-16(14)19)11-10-17(20)13-6-8-15(18)9-7-13/h2-9,17H,10-12,20H2,1H3
InChIKeyVIPWCCUSRNVASV-UHFFFAOYSA-N
MW323.27 g/mol
LogP4.52
Rot. Bonds6

About 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 62644732) has the molecular formula C17H20Cl2N2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID62644732
Molecular FormulaC17H20Cl2N2
Molecular Weight323.27 g/mol
Exact Mass322.10
IUPAC Name1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccc(Cl)cc1)Cc1ccccc1Cl
InChIInChI=1S/C17H20Cl2N2/c1-21(12-14-4-2-3-5-16(14)19)11-10-17(20)13-6-8-15(18)9-7-13/h2-9,17H,10-12,20H2,1H3
InChIKeyVIPWCCUSRNVASV-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

1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
1-(4-bromophenyl)-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62619476
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
(1S)-1-(4-chlorophenyl)-N',N'-diethylpropane-1,3-diamine
CID 28814207
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 62644732) is 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine is CN(CCC(N)c1ccc(Cl)cc1)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is VIPWCCUSRNVASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2/c1-21(12-14-4-2-3-5-16(14)19)11-10-17(20)13-6-8-15(18)9-7-13/h2-9,17H,10-12,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-[(2-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'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 62644732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).