1-(3-bromo-4-chlorophenyl)-N-methylmethanamine

C8H9BrClN — CID 75355471

IUPAC1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClN/c1-11-5-6-2-3-8(10)7(9)4-6/h2-4,11H,5H2,1H3
InChIKeyDMVDFYWFOSLEBO-UHFFFAOYSA-N
MW234.52 g/mol
LogP2.82
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine

1-(3-bromo-4-chlorophenyl)-N-methylmethanamine (PubChem CID 75355471) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
PubChem CID75355471
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
SMILESCNCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H9BrClN/c1-11-5-6-2-3-8(10)7(9)4-6/h2-4,11H,5H2,1H3
InChIKeyDMVDFYWFOSLEBO-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 113337352
N-[(3-bromo-4-chlorophenyl)methyl]but-2-yn-1-amine
CID 115908797
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-(3-bromo-4-chlorophenyl)-N,2-dimethylpropan-2-amine
CID 83745032
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylbut-2-en-1-amine
CID 106180583
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 83232246
1-[3-(4-bromo-2,5-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 107659517
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
3-[(3-bromo-4-chlorophenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 83230108

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine (CID 75355471) is 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine is CNCc1ccc(Cl)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine?
The InChIKey is DMVDFYWFOSLEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN/c1-11-5-6-2-3-8(10)7(9)4-6/h2-4,11H,5H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine?
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine has a molecular weight of 234.52 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 75355471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).