2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine

C17H21BrN2O — CID 61416325

IUPAC2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
SMILESCN(CCOc1ccccc1CN)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c1-20(13-15-7-2-4-8-16(15)18)10-11-21-17-9-5-3-6-14(17)12-19/h2-9H,10-13,19H2,1H3
InChIKeyXWRIXTIPHISERE-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.42
Rot. Bonds7

About 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine

2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine (PubChem CID 61416325) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
PubChem CID61416325
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
SMILESCN(CCOc1ccccc1CN)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c1-20(13-15-7-2-4-8-16(15)18)10-11-21-17-9-5-3-6-14(17)12-19/h2-9H,10-13,19H2,1H3
InChIKeyXWRIXTIPHISERE-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
CID 43374698
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 43530885
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine (CID 61416325) is 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine is CN(CCOc1ccccc1CN)Cc1ccccc1Br.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine?
The InChIKey is XWRIXTIPHISERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(13-15-7-2-4-8-16(15)18)10-11-21-17-9-5-3-6-14(17)12-19/h2-9H,10-13,19H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine?
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine has a molecular weight of 349.27 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 61416325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).