1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol

C11H16FNO — CID 105372977

IUPAC1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc(F)cc1CC(C)(O)CN
InChIInChI=1S/C11H16FNO/c1-8-3-4-10(12)5-9(8)6-11(2,14)7-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyHUZSYBOEFFUTST-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.39
Rot. Bonds3

About 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol

1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol (PubChem CID 105372977) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
PubChem CID105372977
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
SMILESCc1ccc(F)cc1CC(C)(O)CN
InChIInChI=1S/C11H16FNO/c1-8-3-4-10(12)5-9(8)6-11(2,14)7-13/h3-5,14H,6-7,13H2,1-2H3
InChIKeyHUZSYBOEFFUTST-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-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 105372912
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
CID 83698852
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
ethyl 2-(aminomethyl)-2-[(5-fluoro-2-methylphenyl)methyl]-3-methylbutanoate
CID 106488682
4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol (CID 105372977) is 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol is Cc1ccc(F)cc1CC(C)(O)CN.
What is the InChIKey of 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
The InChIKey is HUZSYBOEFFUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8-3-4-10(12)5-9(8)6-11(2,14)7-13/h3-5,14H,6-7,13H2,1-2H3.
What are the key properties of 1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol?
1-amino-3-(5-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-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 105372977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).