3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine

C14H21ClN2 — CID 135362119

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)CC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-17(2)10-13(16)9-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,13H,7-10,16H2,1-2H3
InChIKeyJHIULIXHWIEIDK-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.65
Rot. Bonds5

About 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine

3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 135362119) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID135362119
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)CC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H21ClN2/c1-17(2)10-13(16)9-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,13H,7-10,16H2,1-2H3
InChIKeyJHIULIXHWIEIDK-UHFFFAOYSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
4-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;hydrate;hydrochloride
CID 69304082
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
3-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpropan-1-amine
CID 57115633
2-[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 16673943
N-chloro-1-[1-chloro-4-(4-chlorophenyl)piperidin-4-yl]-N-methylmethanamine
CID 89111935
[4-(4-chlorophenyl)piperidin-4-yl]methanamine;ethane
CID 143339018
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
CID 79451063

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 135362119) is 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine is CN(C)CC(N)CC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is JHIULIXHWIEIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(2)10-13(16)9-14(7-8-14)11-3-5-12(15)6-4-11/h3-6,13H,7-10,16H2,1-2H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine?
3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 252.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 135362119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).