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

C15H15Cl2NO — CID 168637298

IUPAC1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15Cl2NO/c16-9-15(19)10-18-14-3-1-2-12(8-14)11-4-6-13(17)7-5-11/h1-8,15,18-19H,9-10H2
InChIKeySMNORKIQDGNXDU-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.02
Rot. Bonds5

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

1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol (PubChem CID 168637298) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
PubChem CID168637298
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15Cl2NO/c16-9-15(19)10-18-14-3-1-2-12(8-14)11-4-6-13(17)7-5-11/h1-8,15,18-19H,9-10H2
InChIKeySMNORKIQDGNXDU-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.02
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-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
1-chloro-3-[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]propan-2-ol
CID 168639347
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-[3-(1H-imidazol-5-yl)anilino]propan-2-ol
CID 168637573
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
1-chloro-3-(3-ethynylanilino)propan-2-ol
CID 168636271
1-chloro-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)anilino]propan-2-ol
CID 168639667
1-chloro-3-[[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]amino]propan-2-ol
CID 168639246
1-chloro-3-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]propan-2-ol
CID 168638572

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol (CID 168637298) is 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol is OC(CCl)CNc1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol?
The InChIKey is SMNORKIQDGNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-9-15(19)10-18-14-3-1-2-12(8-14)11-4-6-13(17)7-5-11/h1-8,15,18-19H,9-10H2.
What are the key properties of 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol?
1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol has a molecular weight of 296.20 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol is sourced from PubChem (CID 168637298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).