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

C14H16BrN3 — CID 82794707

IUPAC4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(CN)cc1Br
InChIInChI=1S/C14H16BrN3/c1-18(10-11-4-6-17-7-5-11)14-3-2-12(9-16)8-13(14)15/h2-8H,9-10,16H2,1H3
InChIKeyHEJHIBUGZQEZLD-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.94
Rot. Bonds4

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

4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 82794707) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID82794707
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCN(Cc1ccncc1)c1ccc(CN)cc1Br
InChIInChI=1S/C14H16BrN3/c1-18(10-11-4-6-17-7-5-11)14-3-2-12(9-16)8-13(14)15/h2-8H,9-10,16H2,1H3
InChIKeyHEJHIBUGZQEZLD-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 78934605
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 55190467
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
1-[3-bromo-4-[methyl(pyridin-4-ylmethyl)amino]phenyl]ethanol
CID 62908856
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159
4-(bromomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 107080359
2-(bromomethyl)-N,4-dimethyl-N-(pyridin-4-ylmethyl)aniline
CID 114054593
4-(aminomethyl)-N,N-dibenzyl-2-bromoaniline
CID 130164745
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 82794707) is 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline is CN(Cc1ccncc1)c1ccc(CN)cc1Br.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is HEJHIBUGZQEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-18(10-11-4-6-17-7-5-11)14-3-2-12(9-16)8-13(14)15/h2-8H,9-10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline?
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 306.21 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 82794707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).