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

C10H13BrFNO — CID 83902067

IUPAC1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(F)c(Br)c1CC(C)N
InChIInChI=1S/C10H13BrFNO/c1-6(13)5-7-9(14-2)4-3-8(12)10(7)11/h3-4,6H,5,13H2,1-2H3
InChIKeyXBOQXAJELLZYAK-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.49
Rot. Bonds3

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

1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine (PubChem CID 83902067) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
PubChem CID83902067
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(F)c(Br)c1CC(C)N
InChIInChI=1S/C10H13BrFNO/c1-6(13)5-7-9(14-2)4-3-8(12)10(7)11/h3-4,6H,5,13H2,1-2H3
InChIKeyXBOQXAJELLZYAK-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
4-(2-bromo-3-fluoro-6-propan-2-yloxyphenyl)-3-methylbutan-2-amine
CID 156757492
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
1-(6-methoxy-2,3-dimethylphenyl)propan-2-amine
CID 117284120
7-[(2-bromo-3-fluoro-6-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptane
CID 146989054
1-(2-bromo-3,4-dimethoxyphenyl)propan-2-amine
CID 90237354
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
1-(2,3,6-trifluorophenyl)propan-2-amine
CID 55253455
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine (CID 83902067) is 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine is COc1ccc(F)c(Br)c1CC(C)N.
What is the InChIKey of 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine?
The InChIKey is XBOQXAJELLZYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6(13)5-7-9(14-2)4-3-8(12)10(7)11/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine?
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine has a molecular weight of 262.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 83902067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).