4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline

C16H19BrN2 — CID 107274760

IUPAC4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2ccc(CN)c(Br)c2)c1
InChIInChI=1S/C16H19BrN2/c1-12-4-3-5-13(8-12)11-19(2)15-7-6-14(10-18)16(17)9-15/h3-9H,10-11,18H2,1-2H3
InChIKeyHKLPGBGEXAIXIQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.85
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline

4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 107274760) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID107274760
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2ccc(CN)c(Br)c2)c1
InChIInChI=1S/C16H19BrN2/c1-12-4-3-5-13(8-12)11-19(2)15-7-6-14(10-18)16(17)9-15/h3-9H,10-11,18H2,1-2H3
InChIKeyHKLPGBGEXAIXIQ-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

4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889
N-[(3-bromophenyl)methyl]-N,3-dimethylaniline
CID 55193940
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
3-bromo-4-[(N,3-dimethylanilino)methyl]aniline
CID 62003155
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,3-dimethylaniline
CID 102770280

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (CID 107274760) is 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CN(C)c2ccc(CN)c(Br)c2)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is HKLPGBGEXAIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-4-3-5-13(8-12)11-19(2)15-7-6-14(10-18)16(17)9-15/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-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 4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 107274760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).