3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol

C10H13BrFNO — CID 84806995

IUPAC3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
SMILESCc1ccc(Br)c(F)c1C(O)CCN
InChIInChI=1S/C10H13BrFNO/c1-6-2-3-7(11)10(12)9(6)8(14)4-5-13/h2-3,8,14H,4-5,13H2,1H3
InChIKeyGWTUTNCTJBUJPK-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol

3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol (PubChem CID 84806995) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
PubChem CID84806995
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
SMILESCc1ccc(Br)c(F)c1C(O)CCN
InChIInChI=1S/C10H13BrFNO/c1-6-2-3-7(11)10(12)9(6)8(14)4-5-13/h2-3,8,14H,4-5,13H2,1H3
InChIKeyGWTUTNCTJBUJPK-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168
3-amino-3-(3-bromo-2-fluoro-6-methylphenyl)propanoic acid
CID 84810828
3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol
CID 84704910
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
CID 84776107
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84810969
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol (CID 84806995) is 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol is Cc1ccc(Br)c(F)c1C(O)CCN.
What is the InChIKey of 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol?
The InChIKey is GWTUTNCTJBUJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6-2-3-7(11)10(12)9(6)8(14)4-5-13/h2-3,8,14H,4-5,13H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol?
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol is sourced from PubChem (CID 84806995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).