1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol

C11H16FNO — CID 105450766

IUPAC1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(F)cc1N
InChIInChI=1S/C11H16FNO/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10,14H,13H2,1-3H3
InChIKeyCASSRVPJQJLGIG-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.49
Rot. Bonds1

About 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol

1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol (PubChem CID 105450766) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol
PubChem CID105450766
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(F)cc1N
InChIInChI=1S/C11H16FNO/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10,14H,13H2,1-3H3
InChIKeyCASSRVPJQJLGIG-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.49
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

1-(2-amino-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 105447479
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
(2-amino-4-fluorophenyl)-(2-methylphenyl)methanol
CID 105489352
1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 105465988
1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
ethyl 3-(2-amino-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865814
1-(2-amino-4-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171873797
1-(4-fluoro-2-methylphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457195
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
(1S,3S)-3-amino-1-(2,4-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 171237054
4-fluoro-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263294
1-(2,4-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046035

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol (CID 105450766) is 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1ccc(F)cc1N.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol?
The InChIKey is CASSRVPJQJLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,3)10(14)8-5-4-7(12)6-9(8)13/h4-6,10,14H,13H2,1-3H3.
What are the key properties of 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol?
1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluorophenyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 105450766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).