2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline

C15H18BrN3 — CID 114889441

IUPAC2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCN(CCc1ccccn1)c1ccc(Br)cc1CN
InChIInChI=1S/C15H18BrN3/c1-19(9-7-14-4-2-3-8-18-14)15-6-5-13(16)10-12(15)11-17/h2-6,8,10H,7,9,11,17H2,1H3
InChIKeyNYCIBZVEXOYZLC-UHFFFAOYSA-N
MW320.23 g/mol
LogP2.98
Rot. Bonds5

About 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline

2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 114889441) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID114889441
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCN(CCc1ccccn1)c1ccc(Br)cc1CN
InChIInChI=1S/C15H18BrN3/c1-19(9-7-14-4-2-3-8-18-14)15-6-5-13(16)10-12(15)11-17/h2-6,8,10H,7,9,11,17H2,1H3
InChIKeyNYCIBZVEXOYZLC-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

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Related Compounds

2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506
4-bromo-5-fluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110096
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959
4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 107079644
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484
3,5-difluoro-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115506438
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114847708
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline (CID 114889441) is 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline is CN(CCc1ccccn1)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is NYCIBZVEXOYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(9-7-14-4-2-3-8-18-14)15-6-5-13(16)10-12(15)11-17/h2-6,8,10H,7,9,11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)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-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 114889441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).