N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline

C16H19BrN2 — CID 107274862

IUPACN-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)c2ccc(CN)c(Br)c2)c(C)c1
InChIInChI=1S/C16H19BrN2/c1-11-4-7-16(12(2)8-11)19(3)14-6-5-13(10-18)15(17)9-14/h4-9H,10,18H2,1-3H3
InChIKeyOHQIXFSIUKQGMX-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.29
Rot. Bonds3

About N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline

N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline (PubChem CID 107274862) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
PubChem CID107274862
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
SMILESCc1ccc(N(C)c2ccc(CN)c(Br)c2)c(C)c1
InChIInChI=1S/C16H19BrN2/c1-11-4-7-16(12(2)8-11)19(3)14-6-5-13(10-18)15(17)9-14/h4-9H,10,18H2,1-3H3
InChIKeyOHQIXFSIUKQGMX-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(N,2,4-trimethylanilino)benzonitrile
CID 107276246
4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
CID 107274857
3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 55054981
2-(aminomethyl)-N,4-dimethyl-N-(3-methylphenyl)aniline
CID 114016646
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
N-[4-[(1R)-1-aminoethyl]phenyl]-N,2,4-trimethylaniline
CID 55190482
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline (CID 107274862) is N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline is Cc1ccc(N(C)c2ccc(CN)c(Br)c2)c(C)c1.
What is the InChIKey of N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline?
The InChIKey is OHQIXFSIUKQGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11-4-7-16(12(2)8-11)19(3)14-6-5-13(10-18)15(17)9-14/h4-9H,10,18H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline?
N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline has a molecular weight of 319.25 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 107274862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).