1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol

C11H16FNO — CID 114346991

IUPAC1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
SMILESCc1cc(F)ccc1CC(C)(O)CN
InChIInChI=1S/C11H16FNO/c1-8-5-10(12)4-3-9(8)6-11(2,14)7-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyPICDWWTYCILKAD-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.39
Rot. Bonds3

About 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol

1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol (PubChem CID 114346991) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
PubChem CID114346991
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
SMILESCc1cc(F)ccc1CC(C)(O)CN
InChIInChI=1S/C11H16FNO/c1-8-5-10(12)4-3-9(8)6-11(2,14)7-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyPICDWWTYCILKAD-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-(4-fluoro-2-methylphenyl)-2-methyl-4-(methylamino)butan-2-ol
CID 114349788
3-amino-2-[(4-fluoro-2-methylphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899883
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865108
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707
5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
CID 114349443
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-[2-(chloromethyl)-2,3-dimethylbutyl]-4-fluoro-2-methylbenzene
CID 114349945
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
CID 114350488

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol (CID 114346991) is 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol is Cc1cc(F)ccc1CC(C)(O)CN.
What is the InChIKey of 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is PICDWWTYCILKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-5-10(12)4-3-9(8)6-11(2,14)7-13/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114346991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).