2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline

C15H18BrN3 — CID 55237548

IUPAC2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cc(Br)ccc1CCN
InChIInChI=1S/C15H18BrN3/c1-19(11-12-3-2-8-18-10-12)15-9-14(16)5-4-13(15)6-7-17/h2-5,8-10H,6-7,11,17H2,1H3
InChIKeyPBDIUBQNESNIHA-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline

2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 55237548) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID55237548
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cc(Br)ccc1CCN
InChIInChI=1S/C15H18BrN3/c1-19(11-12-3-2-8-18-10-12)15-9-14(16)5-4-13(15)6-7-17/h2-5,8-10H,6-7,11,17H2,1H3
InChIKeyPBDIUBQNESNIHA-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline 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

2-(2-aminobutyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 63786995
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
4-bromo-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 114902803
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63782936
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934682
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
CID 63787208
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 55237548) is 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1cc(Br)ccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is PBDIUBQNESNIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(11-12-3-2-8-18-10-12)15-9-14(16)5-4-13(15)6-7-17/h2-5,8-10H,6-7,11,17H2,1H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline?
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 320.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 55237548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).