3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol

C11H16FNO2 — CID 65434086

IUPAC3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cccc(F)c1C(O)C(C)CN
InChIInChI=1S/C11H16FNO2/c1-7(6-13)11(14)10-8(12)4-3-5-9(10)15-2/h3-5,7,11,14H,6,13H2,1-2H3
InChIKeyHNHGFRBDUXQLFN-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.46
Rot. Bonds4

About 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol

3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 65434086) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID65434086
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cccc(F)c1C(O)C(C)CN
InChIInChI=1S/C11H16FNO2/c1-7(6-13)11(14)10-8(12)4-3-5-9(10)15-2/h3-5,7,11,14H,6,13H2,1-2H3
InChIKeyHNHGFRBDUXQLFN-UHFFFAOYSA-N
XLogP1.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895486
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
1-fluorobutyl 4-amino-3-(2-fluoro-6-methoxyphenyl)butanoate
CID 146368534
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
S-[4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875780

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol (CID 65434086) is 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol is COc1cccc(F)c1C(O)C(C)CN.
What is the InChIKey of 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is HNHGFRBDUXQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7(6-13)11(14)10-8(12)4-3-5-9(10)15-2/h3-5,7,11,14H,6,13H2,1-2H3.
What are the key properties of 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol?
3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 65434086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).