1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol

C16H18FNO — CID 62375666

IUPAC1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
SMILESCc1ccc(F)c(NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C16H18FNO/c1-12-8-9-14(17)15(10-12)18-11-16(2,19)13-6-4-3-5-7-13/h3-10,18-19H,11H2,1-2H3
InChIKeyOPOUALQBOZEFFE-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.45
Rot. Bonds4

About 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol

1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol (PubChem CID 62375666) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
PubChem CID62375666
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol
SMILESCc1ccc(F)c(NCC(C)(O)c2ccccc2)c1
InChIInChI=1S/C16H18FNO/c1-12-8-9-14(17)15(10-12)18-11-16(2,19)13-6-4-3-5-7-13/h3-10,18-19H,11H2,1-2H3
InChIKeyOPOUALQBOZEFFE-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026076
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
1-(3,5-dichloroanilino)-2-phenylpropan-2-ol
CID 62373813
1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
3-(2-fluoro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643855
5-(2-fluoro-5-methylanilino)-4,4-dimethylpentanenitrile
CID 113342585
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
1-(2-fluoro-5-methylanilino)butan-2-ol
CID 60887090
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol (CID 62375666) is 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol is Cc1ccc(F)c(NCC(C)(O)c2ccccc2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol?
The InChIKey is OPOUALQBOZEFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-8-9-14(17)15(10-12)18-11-16(2,19)13-6-4-3-5-7-13/h3-10,18-19H,11H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol?
1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol has a molecular weight of 259.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylanilino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62375666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).