3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol

C11H16FNO2 — CID 84782788

IUPAC3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(N)CCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-7-5-11(15-2)9(12)6-8(7)10(13)3-4-14/h5-6,10,14H,3-4,13H2,1-2H3
InChIKeyVKLSPECJUZENQH-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol

3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 84782788) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
PubChem CID84782788
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol
SMILESCOc1cc(C)c(C(N)CCO)cc1F
InChIInChI=1S/C11H16FNO2/c1-7-5-11(15-2)9(12)6-8(7)10(13)3-4-14/h5-6,10,14H,3-4,13H2,1-2H3
InChIKeyVKLSPECJUZENQH-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
(3S)-3-amino-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171219089
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
3-amino-3-(3,4-difluoro-5-methoxyphenyl)propan-1-ol
CID 84785101
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288
(3S)-3-amino-3-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 131011081
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
3-amino-3-(2,5-difluoro-4-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849719
3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
CID 84805874
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol (CID 84782788) is 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol is COc1cc(C)c(C(N)CCO)cc1F.
What is the InChIKey of 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is VKLSPECJUZENQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7-5-11(15-2)9(12)6-8(7)10(13)3-4-14/h5-6,10,14H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol?
3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 213.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-fluoro-4-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 84782788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).