1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine

C9H11BrFN — CID 129130079

IUPAC1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(C(C)N)cc(F)c1Br
InChIInChI=1S/C9H11BrFN/c1-5-3-7(6(2)12)4-8(11)9(5)10/h3-4,6H,12H2,1-2H3
InChIKeyWOXRRWLPVKFAFV-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.92
Rot. Bonds1

About 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine

1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine (PubChem CID 129130079) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
PubChem CID129130079
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
SMILESCc1cc(C(C)N)cc(F)c1Br
InChIInChI=1S/C9H11BrFN/c1-5-3-7(6(2)12)4-8(11)9(5)10/h3-4,6H,12H2,1-2H3
InChIKeyWOXRRWLPVKFAFV-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanamine
CID 107724826
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
2,5-dibromo-1-fluoro-3-methylbenzene
CID 56604211
1-(3,4,5-tribromophenyl)ethanamine
CID 130135537
2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
CID 142302945
(1R)-1-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 125466549
1-(3,5-dibromophenyl)ethanamine
CID 23147757
N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
1-(3-bromo-4-fluoro-2,6-dimethylphenyl)propan-2-amine
CID 130980809
4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
CID 84669987

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine (CID 129130079) is 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine is Cc1cc(C(C)N)cc(F)c1Br.
What is the InChIKey of 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine?
The InChIKey is WOXRRWLPVKFAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-5-3-7(6(2)12)4-8(11)9(5)10/h3-4,6H,12H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine?
1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine has a molecular weight of 232.10 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 129130079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).