1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine

C9H11BrFN — CID 84695301

IUPAC1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C)cc(Br)c1F
InChIInChI=1S/C9H11BrFN/c1-6-3-7(5-12-2)9(11)8(10)4-6/h3-4,12H,5H2,1-2H3
InChIKeyLSZXHTGCQZCMFO-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine

1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine (PubChem CID 84695301) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine
PubChem CID84695301
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine
SMILESCNCc1cc(C)cc(Br)c1F
InChIInChI=1S/C9H11BrFN/c1-6-3-7(5-12-2)9(11)8(10)4-6/h3-4,12H,5H2,1-2H3
InChIKeyLSZXHTGCQZCMFO-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine 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

1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
CID 101070863
1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
3-(3-bromo-2-fluoro-5-methylphenyl)propanal
CID 117363986
N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913703
1-(2-bromo-4,5-difluorophenyl)-N-methylmethanamine;hydrochloride
CID 170912588
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81434734
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
4-bromo-2-fluoro-3-methoxy-6-(methylaminomethyl)phenol
CID 84807288

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine (CID 84695301) is 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine is CNCc1cc(C)cc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine?
The InChIKey is LSZXHTGCQZCMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-6-3-7(5-12-2)9(11)8(10)4-6/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine?
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine has a molecular weight of 232.10 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 84695301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).