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

C16H19BrN2 — CID 114879522

IUPAC2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cccc(Br)c2CN)c1
InChIInChI=1S/C16H19BrN2/c1-12-5-3-6-13(9-12)11-19(2)16-8-4-7-15(17)14(16)10-18/h3-9H,10-11,18H2,1-2H3
InChIKeyHYTWPZHKQQUPDW-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.85
Rot. Bonds4

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

2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (PubChem CID 114879522) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
PubChem CID114879522
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CN(C)c2cccc(Br)c2CN)c1
InChIInChI=1S/C16H19BrN2/c1-12-5-3-6-13(9-12)11-19(2)16-8-4-7-15(17)14(16)10-18/h3-9H,10-11,18H2,1-2H3
InChIKeyHYTWPZHKQQUPDW-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)-N-benzyl-3-bromo-N-methylaniline
CID 114879429
4-(aminomethyl)-2-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82793405
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
2-(aminomethyl)-3-bromo-N-[(2-fluorophenyl)methyl]-N-methylaniline
CID 114879482
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411575
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 82972283
5-bromo-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarboximidamide
CID 114892898
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411671
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline (CID 114879522) is 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CN(C)c2cccc(Br)c2CN)c1.
What is the InChIKey of 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is HYTWPZHKQQUPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-5-3-6-13(9-12)11-19(2)16-8-4-7-15(17)14(16)10-18/h3-9H,10-11,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline?
2-(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 2-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 114879522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).