2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol

C16H17F2NO2 — CID 61045474

IUPAC2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
SMILESCOc1ccc(NC(C)(CO)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2NO2/c1-16(10-20,14-8-3-11(17)9-15(14)18)19-12-4-6-13(21-2)7-5-12/h3-9,19-20H,10H2,1-2H3
InChIKeyAAQOXTICPKMMLQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.29
Rot. Bonds5

About 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol

2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol (PubChem CID 61045474) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
PubChem CID61045474
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
SMILESCOc1ccc(NC(C)(CO)c2ccc(F)cc2F)cc1
InChIInChI=1S/C16H17F2NO2/c1-16(10-20,14-8-3-11(17)9-15(14)18)19-12-4-6-13(21-2)7-5-12/h3-9,19-20H,10H2,1-2H3
InChIKeyAAQOXTICPKMMLQ-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 63271193
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61055166
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
2-(2,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 123148400
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61047742
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-(4-bromoanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049055

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol (CID 61045474) is 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol is COc1ccc(NC(C)(CO)c2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol?
The InChIKey is AAQOXTICPKMMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-16(10-20,14-8-3-11(17)9-15(14)18)19-12-4-6-13(21-2)7-5-12/h3-9,19-20H,10H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol?
2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol has a molecular weight of 293.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol is sourced from PubChem (CID 61045474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).