2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline

C17H21BrN2 — CID 63787208

IUPAC2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
SMILESCc1cc(C)cc(N(C)c2cc(Br)ccc2CCN)c1
InChIInChI=1S/C17H21BrN2/c1-12-8-13(2)10-16(9-12)20(3)17-11-15(18)5-4-14(17)6-7-19/h4-5,8-11H,6-7,19H2,1-3H3
InChIKeyNRKLJJRWCKQQNV-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.34
Rot. Bonds4

About 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline

2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline (PubChem CID 63787208) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
PubChem CID63787208
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline
SMILESCc1cc(C)cc(N(C)c2cc(Br)ccc2CCN)c1
InChIInChI=1S/C17H21BrN2/c1-12-8-13(2)10-16(9-12)20(3)17-11-15(18)5-4-14(17)6-7-19/h4-5,8-11H,6-7,19H2,1-3H3
InChIKeyNRKLJJRWCKQQNV-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-5-bromo-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 63783047
4-bromo-2-(N,3,5-trimethylanilino)benzenecarbothioamide
CID 114903105
2-(2-aminoethyl)-5-bromo-N-methyl-N-(2-phenylethyl)aniline
CID 65486388
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
N-[2-(2-aminoethyl)-5-bromophenyl]-N,2-dimethyloxolan-3-amine
CID 82754495
2-(2-aminoethyl)-5-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 63786690
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210
2-(2,4-dibromophenyl)ethanamine
CID 73012416
N-[2-(2-aminoethyl)-5-bromophenyl]-N,1-dimethylpiperidin-3-amine
CID 63782253
2-(2-aminoethyl)-5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63782936

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline (CID 63787208) is 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline is Cc1cc(C)cc(N(C)c2cc(Br)ccc2CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline?
The InChIKey is NRKLJJRWCKQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-12-8-13(2)10-16(9-12)20(3)17-11-15(18)5-4-14(17)6-7-19/h4-5,8-11H,6-7,19H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline?
2-(2-aminoethyl)-5-bromo-N-(3,5-dimethylphenyl)-N-methylaniline has a molecular weight of 333.27 g/mol, XLogP of 4.34, 4 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-(3,5-dimethylphenyl)-N-methylaniline is sourced from PubChem (CID 63787208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).