2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol

C17H20FNO — CID 61047714

IUPAC2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
SMILESCc1ccc(C(C)(CO)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C17H20FNO/c1-12-7-8-14(9-13(12)2)17(3,11-20)19-16-6-4-5-15(18)10-16/h4-10,19-20H,11H2,1-3H3
InChIKeyPIDRTXDJNCMWGM-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.76
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol

2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol (PubChem CID 61047714) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
PubChem CID61047714
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
SMILESCc1ccc(C(C)(CO)Nc2cccc(F)c2)cc1C
InChIInChI=1S/C17H20FNO/c1-12-7-8-14(9-13(12)2)17(3,11-20)19-16-6-4-5-15(18)10-16/h4-10,19-20H,11H2,1-3H3
InChIKeyPIDRTXDJNCMWGM-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
2-(4-chloroanilino)-2-(3,4-dimethylphenyl)propan-1-ol
CID 61049896
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)propan-1-ol
CID 61049185
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
CID 61048497
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61047742
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
CID 9098883
2-(3,4-dimethylphenyl)-2-(2-methylpropylamino)propan-1-ol
CID 61054133
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-[2-(3,4-dimethylphenoxy)ethyl]-3-fluoroaniline
CID 62571045
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol (CID 61047714) is 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol is Cc1ccc(C(C)(CO)Nc2cccc(F)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol?
The InChIKey is PIDRTXDJNCMWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-7-8-14(9-13(12)2)17(3,11-20)19-16-6-4-5-15(18)10-16/h4-10,19-20H,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol?
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol has a molecular weight of 273.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol is sourced from PubChem (CID 61047714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).