2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline

C16H19BrN2 — CID 114889484

IUPAC2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CN(C)c1ccc(Br)cc1CN
InChIInChI=1S/C16H19BrN2/c1-12-5-3-4-6-13(12)11-19(2)16-8-7-15(17)9-14(16)10-18/h3-9H,10-11,18H2,1-2H3
InChIKeySDGVUZUMXWCOJE-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.85
Rot. Bonds4

About 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline

2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline (PubChem CID 114889484) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
PubChem CID114889484
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
SMILESCc1ccccc1CN(C)c1ccc(Br)cc1CN
InChIInChI=1S/C16H19BrN2/c1-12-5-3-4-6-13(12)11-19(2)16-8-7-15(17)9-14(16)10-18/h3-9H,10-11,18H2,1-2H3
InChIKeySDGVUZUMXWCOJE-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
2-(aminomethyl)-4-bromo-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 114889468
5-bromo-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 63551348
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
2-(aminomethyl)-4-bromo-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114889441
2-(aminomethyl)-4-bromo-N-(2-fluorophenyl)-N-methylaniline
CID 114889622
2-(aminomethyl)-4-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105413396
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 63532074

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline (CID 114889484) is 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline is Cc1ccccc1CN(C)c1ccc(Br)cc1CN.
What is the InChIKey of 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is SDGVUZUMXWCOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-5-3-4-6-13(12)11-19(2)16-8-7-15(17)9-14(16)10-18/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline?
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 319.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 114889484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).