(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine

C22H24ClNO — CID 156579514

IUPAC(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc([C@H](CCNCCc2ccc(Cl)cc2)c2ccco2)cc1
InChIInChI=1S/C22H24ClNO/c1-17-4-8-19(9-5-17)21(22-3-2-16-25-22)13-15-24-14-12-18-6-10-20(23)11-7-18/h2-11,16,21,24H,12-15H2,1H3/t21-/m0/s1
InChIKeyLXLXMNGWUSDMOS-NRFANRHFSA-N
MW353.89 g/mol
LogP5.60
Rot. Bonds8

About (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine

(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 156579514) has the molecular formula C22H24ClNO and a molecular weight of 353.89 g/mol. Its IUPAC name is (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
PubChem CID156579514
Molecular FormulaC22H24ClNO
Molecular Weight353.89 g/mol
Exact Mass353.15
IUPAC Name(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc([C@H](CCNCCc2ccc(Cl)cc2)c2ccco2)cc1
InChIInChI=1S/C22H24ClNO/c1-17-4-8-19(9-5-17)21(22-3-2-16-25-22)13-15-24-14-12-18-6-10-20(23)11-7-18/h2-11,16,21,24H,12-15H2,1H3/t21-/m0/s1
InChIKeyLXLXMNGWUSDMOS-NRFANRHFSA-N
XLogP5.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.89
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 2022429
4-(4-methylphenyl)-N-[3-(4-methylphenyl)-3-phenylpropyl]butan-1-amine
CID 159418056
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine;hydrochloride
CID 17206419
(3S)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
[(1R)-1-(4-chlorophenyl)ethyl]-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
CID 7376292
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
3-(furan-2-yl)-3-phenyl-N-(1-phenylethyl)propan-1-amine
CID 3724018
N-[2-(4-chlorophenyl)ethyl]-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8756176
N-[2-(4-chlorophenyl)ethyl]-2-phenylpropan-1-amine;hydrochloride
CID 17208769

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine (CID 156579514) is (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc([C@H](CCNCCc2ccc(Cl)cc2)c2ccco2)cc1.
What is the InChIKey of (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is LXLXMNGWUSDMOS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24ClNO/c1-17-4-8-19(9-5-17)21(22-3-2-16-25-22)13-15-24-14-12-18-6-10-20(23)11-7-18/h2-11,16,21,24H,12-15H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine?
(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 353.89 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 156579514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).