4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline

C16H19BrN2 — CID 82793405

IUPAC4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2ccc(CN)cc2Br)c1
InChIInChI=1S/C16H19BrN2/c1-12-4-3-5-14(8-12)11-19(2)16-7-6-13(10-18)9-15(16)17/h3-9H,10-11,18H2,1-2H3
InChIKeyPLFNPGAQDAZMRO-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.85
Rot. Bonds4

About 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline

4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 82793405) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID82793405
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2ccc(CN)cc2Br)c1
InChIInChI=1S/C16H19BrN2/c1-12-4-3-5-14(8-12)11-19(2)16-7-6-13(10-18)9-15(16)17/h3-9H,10-11,18H2,1-2H3
InChIKeyPLFNPGAQDAZMRO-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)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 114879522
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
4-(aminomethyl)-2-bromo-N,N-dimethylaniline
CID 82795005
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
2-[4-(aminomethyl)-2-bromo-N-methylanilino]ethanol
CID 82794580
4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (CID 82793405) is 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CN(C)c2ccc(CN)cc2Br)c1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is PLFNPGAQDAZMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-4-3-5-14(8-12)11-19(2)16-7-6-13(10-18)9-15(16)17/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
4-(aminomethyl)-2-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)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 82793405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).