1-(2-chlorophenyl)-3-phenylpropan-1-amine

C15H16ClN — CID 54014885

IUPAC1-(2-chlorophenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H16ClN/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11,17H2
InChIKeyKBCQKANKFQUKSQ-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.97
Rot. Bonds4

About 1-(2-chlorophenyl)-3-phenylpropan-1-amine

1-(2-chlorophenyl)-3-phenylpropan-1-amine (PubChem CID 54014885) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-phenylpropan-1-amine
PubChem CID54014885
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name1-(2-chlorophenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H16ClN/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11,17H2
InChIKeyKBCQKANKFQUKSQ-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
[1-(2-chlorophenyl)-3-phenylpropyl]hydrazine
CID 105205580
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropan-1-amine
CID 43330426
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644628
(1S)-1-(2-chlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171231678
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-amino-2-(2-chlorophenyl)-6-phenylhexan-3-ol
CID 65184766
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-phenylpropan-1-amine (CID 54014885) is 1-(2-chlorophenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-phenylpropan-1-amine?
The InChIKey is KBCQKANKFQUKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11,17H2.
What are the key properties of 1-(2-chlorophenyl)-3-phenylpropan-1-amine?
1-(2-chlorophenyl)-3-phenylpropan-1-amine has a molecular weight of 245.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-phenylpropan-1-amine is sourced from PubChem (CID 54014885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).