5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine

C13H12BrClN2 — CID 115656903

IUPAC5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
SMILESCN(Cc1cccc(Cl)c1)c1cncc(Br)c1
InChIInChI=1S/C13H12BrClN2/c1-17(13-6-11(14)7-16-8-13)9-10-3-2-4-12(15)5-10/h2-8H,9H2,1H3
InChIKeyRXDDXRNUBUGIEP-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.13
Rot. Bonds3

About 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine

5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine (PubChem CID 115656903) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
PubChem CID115656903
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC Name5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
SMILESCN(Cc1cccc(Cl)c1)c1cncc(Br)c1
InChIInChI=1S/C13H12BrClN2/c1-17(13-6-11(14)7-16-8-13)9-10-3-2-4-12(15)5-10/h2-8H,9H2,1H3
InChIKeyRXDDXRNUBUGIEP-UHFFFAOYSA-N
XLogP4.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine 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

5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66465731
5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
3-[(3-chlorophenyl)methyl-methylamino]benzonitrile
CID 55152648
4-[(1S)-1-aminoethyl]-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 78934700
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
6-N-[(3-chlorophenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80646738
methyl 6-[(3-chlorophenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66458224
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803
6-[(3-chlorophenyl)methyl-methylamino]pyridine-3-carbaldehyde
CID 80638202

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine?
The IUPAC name of 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine (CID 115656903) is 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine is CN(Cc1cccc(Cl)c1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine?
The InChIKey is RXDDXRNUBUGIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-17(13-6-11(14)7-16-8-13)9-10-3-2-4-12(15)5-10/h2-8H,9H2,1H3.
What are the key properties of 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine?
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine has a molecular weight of 311.61 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine is sourced from PubChem (CID 115656903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).