4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline

C15H17BrN2O — CID 107274857

IUPAC4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
SMILESCOc1ccccc1N(C)c1ccc(CN)c(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-18(14-5-3-4-6-15(14)19-2)12-8-7-11(10-17)13(16)9-12/h3-9H,10,17H2,1-2H3
InChIKeySIPFUXAHBASDAB-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.68
Rot. Bonds4

About 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline

4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline (PubChem CID 107274857) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
PubChem CID107274857
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline
SMILESCOc1ccccc1N(C)c1ccc(CN)c(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-18(14-5-3-4-6-15(14)19-2)12-8-7-11(10-17)13(16)9-12/h3-9H,10,17H2,1-2H3
InChIKeySIPFUXAHBASDAB-UHFFFAOYSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)-3-bromophenyl]-N,2,4-trimethylaniline
CID 107274862
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
4-(aminomethyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylaniline
CID 115366747
4-(aminomethyl)-3-bromo-N,N-diethylaniline
CID 107274646
2-[4-(aminomethyl)-3-bromo-N-methylanilino]ethanol
CID 107274749
[4-fluoro-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64770076
N-[4-(2-aminopropyl)phenyl]-2-methoxy-N-methylaniline
CID 63794199
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 113295432
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
4-(aminomethyl)-3-bromo-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107274760

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline?
The IUPAC name of 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline (CID 107274857) is 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline?
The canonical SMILES for 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline is COc1ccccc1N(C)c1ccc(CN)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline?
The InChIKey is SIPFUXAHBASDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(14-5-3-4-6-15(14)19-2)12-8-7-11(10-17)13(16)9-12/h3-9H,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline?
4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline has a molecular weight of 321.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-bromo-N-(2-methoxyphenyl)-N-methylaniline is sourced from PubChem (CID 107274857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).