1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol

C15H16ClNO — CID 64916015

IUPAC1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
SMILESNc1cc(Cl)ccc1C(O)CCc1ccccc1
InChIInChI=1S/C15H16ClNO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15,18H,6,9,17H2
InChIKeyRKCVTYFVRXEHTG-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.59
Rot. Bonds4

About 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol

1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol (PubChem CID 64916015) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
PubChem CID64916015
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol
SMILESNc1cc(Cl)ccc1C(O)CCc1ccccc1
InChIInChI=1S/C15H16ClNO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15,18H,6,9,17H2
InChIKeyRKCVTYFVRXEHTG-UHFFFAOYSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445879
[1-(2,4-dichlorophenyl)-3-phenylpropyl]hydrazine
CID 105285831
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-(2-bromo-3,4-difluorophenyl)-3-phenylpropan-1-ol
CID 107538484
[1-(4-chloro-2-methylphenyl)-3-phenylpropyl]hydrazine
CID 114028417
1-(2-iodophenyl)-3-phenylpropan-1-ol
CID 14918705
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
[1-(5-chloro-2-fluorophenyl)-4-phenylbutyl]hydrazine
CID 105279983
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
CID 64914807

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol (CID 64916015) is 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol is Nc1cc(Cl)ccc1C(O)CCc1ccccc1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol?
The InChIKey is RKCVTYFVRXEHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,15,18H,6,9,17H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol?
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol has a molecular weight of 261.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-ol is sourced from PubChem (CID 64916015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).