1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol

C14H16ClNO2 — CID 82312968

IUPAC1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
SMILESCC(NCc1ccco1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-10(16-9-13-3-2-8-18-13)14(17)11-4-6-12(15)7-5-11/h2-8,10,14,16-17H,9H2,1H3
InChIKeyHRXJEOIEBHDYAM-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol

1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol (PubChem CID 82312968) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
PubChem CID82312968
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol
SMILESCC(NCc1ccco1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-10(16-9-13-3-2-8-18-13)14(17)11-4-6-12(15)7-5-11/h2-8,10,14,16-17H,9H2,1H3
InChIKeyHRXJEOIEBHDYAM-UHFFFAOYSA-N
XLogP3.14
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylamino)-1-(4-methoxy-3-methylphenyl)propan-1-ol
CID 82313778
2-(furan-2-ylmethylamino)-1-(3-methoxyphenyl)propan-1-ol
CID 82314231
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17332091
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-(furan-2-ylmethylamino)propan-2-ol
CID 25363046
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
2-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-ol
CID 82312960
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
1-(4-chlorophenyl)-2-(cyclopropylmethylamino)propan-1-ol
CID 111478453
1-(4-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methylamino]propan-1-ol
CID 111478472
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
CID 110618053

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol (CID 82312968) is 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol is CC(NCc1ccco1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol?
The InChIKey is HRXJEOIEBHDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-10(16-9-13-3-2-8-18-13)14(17)11-4-6-12(15)7-5-11/h2-8,10,14,16-17H,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol?
1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol has a molecular weight of 265.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 82312968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).