1-N-(4-chlorophenyl)propane-1,2-diamine

C9H13ClN2 — CID 18972775

IUPAC1-N-(4-chlorophenyl)propane-1,2-diamine
SMILESCC(N)CNc1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,12H,6,11H2,1H3
InChIKeyGSNJVTLTVPUCLA-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.10
Rot. Bonds3

About 1-N-(4-chlorophenyl)propane-1,2-diamine

1-N-(4-chlorophenyl)propane-1,2-diamine (PubChem CID 18972775) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)propane-1,2-diamine
PubChem CID18972775
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-N-(4-chlorophenyl)propane-1,2-diamine
SMILESCC(N)CNc1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,12H,6,11H2,1H3
InChIKeyGSNJVTLTVPUCLA-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
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1-N-(3,4-dimethylphenyl)propane-1,2-diamine
CID 83695989
4-(2-aminopropylamino)-N-propan-2-ylbenzenesulfonamide
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N-[4-(2-aminopropylamino)phenyl]-N-methylmethanesulfonamide
CID 67725999
2-[(4-chloroanilino)methyl]butan-1-ol
CID 15086649
3-(4-chloroanilino)propane-1,2-diol
CID 76891534
N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 84729053
1-N-(4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 83955072
1-N-(4-bromophenyl)-3-methylbutane-1,2-diamine
CID 83951307
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
CID 83955031

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(4-chlorophenyl)propane-1,2-diamine (CID 18972775) is 1-N-(4-chlorophenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(4-chlorophenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(4-chlorophenyl)propane-1,2-diamine is CC(N)CNc1ccc(Cl)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)propane-1,2-diamine?
The InChIKey is GSNJVTLTVPUCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7,12H,6,11H2,1H3.
What are the key properties of 1-N-(4-chlorophenyl)propane-1,2-diamine?
1-N-(4-chlorophenyl)propane-1,2-diamine has a molecular weight of 184.67 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)propane-1,2-diamine is sourced from PubChem (CID 18972775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).