3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine

C10H13BrFNO — CID 83902095

IUPAC3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(F)ccc(Br)c1CCCN
InChIInChI=1S/C10H13BrFNO/c1-14-10-7(3-2-6-13)8(11)4-5-9(10)12/h4-5H,2-3,6,13H2,1H3
InChIKeyVEMPCYDAZIIUBI-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.49
Rot. Bonds4

About 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine

3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 83902095) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID83902095
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1c(F)ccc(Br)c1CCCN
InChIInChI=1S/C10H13BrFNO/c1-14-10-7(3-2-6-13)8(11)4-5-9(10)12/h4-5H,2-3,6,13H2,1H3
InChIKeyVEMPCYDAZIIUBI-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
4-(6-bromo-3-fluoro-2-methoxyphenyl)butanoic acid
CID 117470024
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
3-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803102
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
2-(4-fluoro-3-methoxy-2-methylphenyl)ethanamine
CID 59994575

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine (CID 83902095) is 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine is COc1c(F)ccc(Br)c1CCCN.
What is the InChIKey of 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is VEMPCYDAZIIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-14-10-7(3-2-6-13)8(11)4-5-9(10)12/h4-5H,2-3,6,13H2,1H3.
What are the key properties of 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine?
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83902095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).