2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline

C15H17BrN2 — CID 114879429

IUPAC2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
SMILESCN(Cc1ccccc1)c1cccc(Br)c1CN
InChIInChI=1S/C15H17BrN2/c1-18(11-12-6-3-2-4-7-12)15-9-5-8-14(16)13(15)10-17/h2-9H,10-11,17H2,1H3
InChIKeyLWKMKIJNTRBSCR-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.54
Rot. Bonds4

About 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline

2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline (PubChem CID 114879429) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
PubChem CID114879429
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline
SMILESCN(Cc1ccccc1)c1cccc(Br)c1CN
InChIInChI=1S/C15H17BrN2/c1-18(11-12-6-3-2-4-7-12)15-9-5-8-14(16)13(15)10-17/h2-9H,10-11,17H2,1H3
InChIKeyLWKMKIJNTRBSCR-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
3-[[2-(aminomethyl)-3-bromo-N-methylanilino]methyl]cyclobutan-1-ol
CID 114879720
N-benzyl-2-bromo-N,6-dimethylaniline
CID 91032005
2-(aminomethyl)-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 79517600
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
2-[(3-aminophenyl)methyl-methylamino]-6-bromobenzamide
CID 114887491
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline?
The IUPAC name of 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline (CID 114879429) is 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline is CN(Cc1ccccc1)c1cccc(Br)c1CN.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline?
The InChIKey is LWKMKIJNTRBSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18(11-12-6-3-2-4-7-12)15-9-5-8-14(16)13(15)10-17/h2-9H,10-11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline?
2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline has a molecular weight of 305.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-3-bromo-N-methylaniline is sourced from PubChem (CID 114879429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).