3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline

C16H18BrClN2 — CID 102813927

IUPAC3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccc(Cl)cc1)N(C)c1cc(Br)cc(CN)c1
InChIInChI=1S/C16H18BrClN2/c1-11(13-3-5-15(18)6-4-13)20(2)16-8-12(10-19)7-14(17)9-16/h3-9,11H,10,19H2,1-2H3
InChIKeyNXJNFPRJDQPKND-UHFFFAOYSA-N
MW353.69 g/mol
LogP4.76
Rot. Bonds4

About 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline

3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline (PubChem CID 102813927) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
PubChem CID102813927
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
SMILESCC(c1ccc(Cl)cc1)N(C)c1cc(Br)cc(CN)c1
InChIInChI=1S/C16H18BrClN2/c1-11(13-3-5-15(18)6-4-13)20(2)16-8-12(10-19)7-14(17)9-16/h3-9,11H,10,19H2,1-2H3
InChIKeyNXJNFPRJDQPKND-UHFFFAOYSA-N
XLogP4.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-bromo-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 102813478
3-(aminomethyl)-5-bromo-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 102813782
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylaniline
CID 62979806
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
2-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 62980335
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
4-(2-aminoethyl)-2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 81159454
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
5-bromo-2-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline
CID 63568192

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline (CID 102813927) is 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline is CC(c1ccc(Cl)cc1)N(C)c1cc(Br)cc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline?
The InChIKey is NXJNFPRJDQPKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-11(13-3-5-15(18)6-4-13)20(2)16-8-12(10-19)7-14(17)9-16/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline?
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline has a molecular weight of 353.69 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylaniline is sourced from PubChem (CID 102813927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).