2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine

C12H19ClN2 — CID 103387962

IUPAC2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
SMILESCCC(NC(C)CN)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-3-12(15-9(2)8-14)10-5-4-6-11(13)7-10/h4-7,9,12,15H,3,8,14H2,1-2H3
InChIKeyLWIWBXBNDMACCJ-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.73
Rot. Bonds5

About 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine

2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine (PubChem CID 103387962) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
PubChem CID103387962
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
SMILESCCC(NC(C)CN)c1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2/c1-3-12(15-9(2)8-14)10-5-4-6-11(13)7-10/h4-7,9,12,15H,3,8,14H2,1-2H3
InChIKeyLWIWBXBNDMACCJ-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
N-[1-(3-chlorophenyl)propyl]hex-5-en-2-amine
CID 113437828
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine (CID 103387962) is 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine is CCC(NC(C)CN)c1cccc(Cl)c1.
What is the InChIKey of 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine?
The InChIKey is LWIWBXBNDMACCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-12(15-9(2)8-14)10-5-4-6-11(13)7-10/h4-7,9,12,15H,3,8,14H2,1-2H3.
What are the key properties of 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine?
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine is sourced from PubChem (CID 103387962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).