1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine

C14H23ClN2 — CID 55019737

IUPAC1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H23ClN2/c1-4-5-9-17(3)14(11(2)16)12-7-6-8-13(15)10-12/h6-8,10-11,14H,4-5,9,16H2,1-3H3
InChIKeyVIQCFDQOGFTZKY-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.46
Rot. Bonds6

About 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine

1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 55019737) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
PubChem CID55019737
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
SMILESCCCCN(C)C(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H23ClN2/c1-4-5-9-17(3)14(11(2)16)12-7-6-8-13(15)10-12/h6-8,10-11,14H,4-5,9,16H2,1-3H3
InChIKeyVIQCFDQOGFTZKY-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-amino-1-(3-chlorophenyl)propyl]-butylamino]ethanol
CID 55019360
1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]-2-methylpropanenitrile
CID 55019747
3-[[2-amino-1-(3-chlorophenyl)propyl]-methylamino]butanenitrile
CID 55174518
1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
CID 55019550
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
1-(3-chlorophenyl)-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63013718
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
1-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 63694101
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
1-(3-chlorophenyl)decan-1-amine
CID 63412045
1-(3-chlorophenyl)undecan-1-amine
CID 63411961

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine (CID 55019737) is 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine is CCCCN(C)C(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is VIQCFDQOGFTZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-5-9-17(3)14(11(2)16)12-7-6-8-13(15)10-12/h6-8,10-11,14H,4-5,9,16H2,1-3H3.
What are the key properties of 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine?
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 254.80 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 55019737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).