2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine

C10H13BrFN — CID 83843675

IUPAC2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(F)c(C)c(Br)c1
InChIInChI=1S/C10H13BrFN/c1-7-9(11)5-8(3-4-13-2)6-10(7)12/h5-6,13H,3-4H2,1-2H3
InChIKeyLHWQRBWFUJRLJO-UHFFFAOYSA-N
MW246.12 g/mol
LogP2.66
Rot. Bonds3

About 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine

2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine (PubChem CID 83843675) has the molecular formula C10H13BrFN and a molecular weight of 246.12 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
PubChem CID83843675
Molecular FormulaC10H13BrFN
Molecular Weight246.12 g/mol
Exact Mass245.02
IUPAC Name2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
SMILESCNCCc1cc(F)c(C)c(Br)c1
InChIInChI=1S/C10H13BrFN/c1-7-9(11)5-8(3-4-13-2)6-10(7)12/h5-6,13H,3-4H2,1-2H3
InChIKeyLHWQRBWFUJRLJO-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
CID 117445656
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
1-(3-bromo-5-fluoro-4-methylphenyl)propan-2-ol
CID 117369429
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
2-[3-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117108110
2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine
CID 83900891
3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
CID 117297397
2-(5-bromo-2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 84710711
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine (CID 83843675) is 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine is CNCCc1cc(F)c(C)c(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine?
The InChIKey is LHWQRBWFUJRLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN/c1-7-9(11)5-8(3-4-13-2)6-10(7)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine?
2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine has a molecular weight of 246.12 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 83843675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).