2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol

C16H18ClNO2 — CID 61050529

IUPAC2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)(CO)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-16(11-19,12-7-9-13(20-2)10-8-12)18-15-6-4-3-5-14(15)17/h3-10,18-19H,11H2,1-2H3
InChIKeyRQBKTDVECIMFMT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.67
Rot. Bonds5

About 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol

2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol (PubChem CID 61050529) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
PubChem CID61050529
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(C)(CO)Nc2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-16(11-19,12-7-9-13(20-2)10-8-12)18-15-6-4-3-5-14(15)17/h3-10,18-19H,11H2,1-2H3
InChIKeyRQBKTDVECIMFMT-UHFFFAOYSA-N
XLogP3.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_C(1)', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-chloro-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzonitrile
CID 105058533
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
5-[1-hydroxy-2-(2-methoxyanilino)propan-2-yl]benzene-1,3-diol
CID 107707749

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol (CID 61050529) is 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol is COc1ccc(C(C)(CO)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol?
The InChIKey is RQBKTDVECIMFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-16(11-19,12-7-9-13(20-2)10-8-12)18-15-6-4-3-5-14(15)17/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol?
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 61050529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).