2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol

C15H16ClNO — CID 15908132

IUPAC2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C15H16ClNO/c1-15(2,18)13-9-11(6-7-14(13)17)10-4-3-5-12(16)8-10/h3-9,18H,17H2,1-2H3
InChIKeyITEDDYPYHIHWHC-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.82
Rot. Bonds2

About 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol

2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol (PubChem CID 15908132) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol
PubChem CID15908132
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C15H16ClNO/c1-15(2,18)13-9-11(6-7-14(13)17)10-4-3-5-12(16)8-10/h3-9,18H,17H2,1-2H3
InChIKeyITEDDYPYHIHWHC-UHFFFAOYSA-N
XLogP3.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.82
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

2-Amino-5-chlorobenzhydrol
CID 2769707
2-Amino-3-[(4-chlorophenyl)hydroxymethyl]benzeneethanol
CID 13577662
1-(2-Amino-5-chlorophenyl)-1-phenylethanol
CID 102944
2-(2-Amino-5-chlorophenyl)propan-2-ol
CID 117104067
2-(2-Amino-5-chlorophenyl)-4-phenyl-1,1,1-trifluoro-3-butyn-2-ol
CID 11120934
Benzenemethanol, 4-amino-alpha-(4-amino-3,5-dimethylphenyl)-alpha-(2,6-dichlorophenyl)-3,5-dimethyl-
CID 116608
2-(4-Amino-3'-chloro-4'-fluoro-[1,1'-biphenyl]-3-yl)propan-2-ol
CID 135799862
Benzenemethanol, 4-amino-alpha-(4-amino-3-methylphenyl)-alpha-(2-chlorophenyl)-3-methyl-
CID 116582
2-Amino-5-chloro-alpha-(2-fluorophenyl)benzenemethanol
CID 12900033
(+/-) 2-(2-Amino-5-chlorophenyl)-1,1,1-trifluoro-5-hexen-2-ol
CID 15817164
(+/-) 2-(2-Amino-5-chlorophenyl)-4-phenyl-1-chloro-1,1-difluoro-3-butyn-2-ol
CID 18972712
(E)-2-(4-amino-3-methylphenyl)-4-(4-chlorophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 23131626

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol (CID 15908132) is 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol is CC(C)(O)c1cc(-c2cccc(Cl)c2)ccc1N.
What is the InChIKey of 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol?
The InChIKey is ITEDDYPYHIHWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-15(2,18)13-9-11(6-7-14(13)17)10-4-3-5-12(16)8-10/h3-9,18H,17H2,1-2H3.
What are the key properties of 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol?
2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol has a molecular weight of 261.75 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3-chlorophenyl)phenyl]propan-2-ol is sourced from PubChem (CID 15908132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).