3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol

C12H18FNO — CID 90443269

IUPAC3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1ccc(N)cc1CF
InChIInChI=1S/C12H18FNO/c1-12(2,8-15)6-9-3-4-11(14)5-10(9)7-13/h3-5,15H,6-8,14H2,1-2H3
InChIKeyOEAUTHHIJRCYNM-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.30
Rot. Bonds4

About 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol

3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 90443269) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
PubChem CID90443269
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)Cc1ccc(N)cc1CF
InChIInChI=1S/C12H18FNO/c1-12(2,8-15)6-9-3-4-11(14)5-10(9)7-13/h3-5,15H,6-8,14H2,1-2H3
InChIKeyOEAUTHHIJRCYNM-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 66904
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CID 212998
4-(Oxan-4-yl)-3-(trifluoromethyl)aniline
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(1R,3aR,6aR)-4-(5-amino-2-methylphenyl)-5-hexyl-3a-(1-phenylethenyl)-2,3,6,6a-tetrahydro-1H-pentalen-1-ol
CID 155552135
[1-(4-Aminophenyl)cyclopentyl]methanol
CID 82275280
3-[(Oxetan-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 119056839
(1-(4-Aminophenyl)cyclopropyl)methanol hydrochloride
CID 145867151
2-(4-Aminophenyl)1-propanol
CID 21876239
N-(4-hydroxy-3,5-di-t-butyl)phenylimine
CID 129814762
(4-Amino-2-methylphenyl)methanol
CID 12381236
5-(4-Aminophenyl)-1,1,1-trifluoropentan-2-ol
CID 19773665

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol (CID 90443269) is 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol is CC(C)(CO)Cc1ccc(N)cc1CF.
What is the InChIKey of 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is OEAUTHHIJRCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-12(2,8-15)6-9-3-4-11(14)5-10(9)7-13/h3-5,15H,6-8,14H2,1-2H3.
What are the key properties of 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol?
3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(fluoromethyl)phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 90443269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).