1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol

C21H20ClNO — CID 168636829

IUPAC1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20ClNO/c22-14-21(24)15-23-20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21,23-24H,14-15H2
InChIKeyGDKJRMBIAFUMIA-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.03
Rot. Bonds6

About 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol

1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol (PubChem CID 168636829) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
PubChem CID168636829
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20ClNO/c22-14-21(24)15-23-20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21,23-24H,14-15H2
InChIKeyGDKJRMBIAFUMIA-UHFFFAOYSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-(4-naphthalen-1-ylanilino)propan-2-ol
CID 168636588
1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
CID 168637298
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
2-[[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]methyl]isoindole-1,3-dione
CID 168638063
2-methyl-3-(4-phenylanilino)propanoic acid
CID 62253496
1-chloro-3-[4-(2-hydroxyethoxy)anilino]propan-2-ol
CID 168638340
4-[1-hydroxy-2-(4-phenylanilino)ethyl]phenol
CID 11551259
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
1-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]propane-1,2,3-triol
CID 168637818
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethyl-N-phenylbenzamide
CID 168637234

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol (CID 168636829) is 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol is OC(CCl)CNc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol?
The InChIKey is GDKJRMBIAFUMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO/c22-14-21(24)15-23-20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21,23-24H,14-15H2.
What are the key properties of 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol?
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol has a molecular weight of 337.85 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol is sourced from PubChem (CID 168636829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).