2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine

C10H13BrFNO — CID 84806984

IUPAC2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)c(C(C)CN)cc1Br
InChIInChI=1S/C10H13BrFNO/c1-6(5-13)7-3-8(11)10(14-2)4-9(7)12/h3-4,6H,5,13H2,1-2H3
InChIKeyJLSBHYWYGLOVEI-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.66
Rot. Bonds3

About 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine

2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine (PubChem CID 84806984) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
PubChem CID84806984
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine
SMILESCOc1cc(F)c(C(C)CN)cc1Br
InChIInChI=1S/C10H13BrFNO/c1-6(5-13)7-3-8(11)10(14-2)4-9(7)12/h3-4,6H,5,13H2,1-2H3
InChIKeyJLSBHYWYGLOVEI-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-[5-bromo-4-methoxy-2-(methoxymethyl)phenyl]propan-1-amine
CID 117465245
2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
1-amino-4-(5-bromo-2,4-dimethoxyphenyl)pentan-2-ol
CID 83925936
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine (CID 84806984) is 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine is COc1cc(F)c(C(C)CN)cc1Br.
What is the InChIKey of 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine?
The InChIKey is JLSBHYWYGLOVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6(5-13)7-3-8(11)10(14-2)4-9(7)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine?
2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine has a molecular weight of 262.12 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 84806984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).