2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline

C17H21BrN2 — CID 63783047

IUPAC2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CN(C)c2cc(Br)ccc2CCN)cc1
InChIInChI=1S/C17H21BrN2/c1-13-3-5-14(6-4-13)12-20(2)17-11-16(18)8-7-15(17)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyUUBUEOLACZFPKE-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.90
Rot. Bonds5

About 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline

2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 63783047) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID63783047
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
SMILESCc1ccc(CN(C)c2cc(Br)ccc2CCN)cc1
InChIInChI=1S/C17H21BrN2/c1-13-3-5-14(6-4-13)12-20(2)17-11-16(18)8-7-15(17)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3
InChIKeyUUBUEOLACZFPKE-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)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

2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
[4-bromo-2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415453
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
CID 63787208
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63782936
2-(aminomethyl)-4-bromo-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 114889527
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
2-(2-aminopropyl)-5-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 63815166
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline (CID 63783047) is 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline is Cc1ccc(CN(C)c2cc(Br)ccc2CCN)cc1.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is UUBUEOLACZFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13-3-5-14(6-4-13)12-20(2)17-11-16(18)8-7-15(17)9-10-19/h3-8,11H,9-10,12,19H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline?
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 333.27 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 63783047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).