2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine

C17H21BrN2O — CID 61415614

IUPAC2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-20(13-15-5-2-6-16(18)10-15)8-9-21-17-7-3-4-14(11-17)12-19/h2-7,10-11H,8-9,12-13,19H2,1H3
InChIKeyDKXMJLAHKFRKNM-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.42
Rot. Bonds7

About 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine

2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine (PubChem CID 61415614) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
PubChem CID61415614
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)Cc1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-20(13-15-5-2-6-16(18)10-15)8-9-21-17-7-3-4-14(11-17)12-19/h2-7,10-11H,8-9,12-13,19H2,1H3
InChIKeyDKXMJLAHKFRKNM-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-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43530781
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine (CID 61415614) is 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine is CN(CCOc1cccc(CN)c1)Cc1cccc(Br)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine?
The InChIKey is DKXMJLAHKFRKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(13-15-5-2-6-16(18)10-15)8-9-21-17-7-3-4-14(11-17)12-19/h2-7,10-11H,8-9,12-13,19H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine?
2-[3-(aminomethyl)phenoxy]-N-[(3-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-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 61415614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).