3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline

C16H19BrN2 — CID 65483308

IUPAC3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
SMILESCN(CCc1ccccc1)Cc1ccc(N)cc1Br
InChIInChI=1S/C16H19BrN2/c1-19(10-9-13-5-3-2-4-6-13)12-14-7-8-15(18)11-16(14)17/h2-8,11H,9-10,12,18H2,1H3
InChIKeyUSFDOLFLGKXPRI-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.71
Rot. Bonds5

About 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline

3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline (PubChem CID 65483308) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
PubChem CID65483308
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline
SMILESCN(CCc1ccccc1)Cc1ccc(N)cc1Br
InChIInChI=1S/C16H19BrN2/c1-19(10-9-13-5-3-2-4-6-13)12-14-7-8-15(18)11-16(14)17/h2-8,11H,9-10,12,18H2,1H3
InChIKeyUSFDOLFLGKXPRI-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[benzyl(propyl)amino]methyl]-3-bromoaniline
CID 60792626
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
3-bromo-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420019
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861
3-bromo-4-[[methyl(2-methylbutyl)amino]methyl]aniline
CID 60790711
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-2-phenylethanamine
CID 107113490
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
3-bromo-4-(diethylaminomethyl)aniline
CID 60795845
3-fluoro-4-[[methyl(propyl)amino]methyl]aniline
CID 64768064
3-[[benzyl(methyl)amino]methyl]-4-methylaniline
CID 82129969
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline?
The IUPAC name of 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline (CID 65483308) is 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline.
What is the SMILES notation for 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline?
The canonical SMILES for 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline is CN(CCc1ccccc1)Cc1ccc(N)cc1Br.
What is the InChIKey of 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline?
The InChIKey is USFDOLFLGKXPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-19(10-9-13-5-3-2-4-6-13)12-14-7-8-15(18)11-16(14)17/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline?
3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline has a molecular weight of 319.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[methyl(2-phenylethyl)amino]methyl]aniline is sourced from PubChem (CID 65483308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).