2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine

C17H22N2O — CID 43253622

IUPAC2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(14-15-6-3-2-4-7-15)10-11-20-17-9-5-8-16(12-17)13-18/h2-9,12H,10-11,13-14,18H2,1H3
InChIKeyVFEDBXRECQMWAJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.66
Rot. Bonds7

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

2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine (PubChem CID 43253622) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
PubChem CID43253622
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
SMILESCN(CCOc1cccc(CN)c1)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-19(14-15-6-3-2-4-7-15)10-11-20-17-9-5-8-16(12-17)13-18/h2-9,12H,10-11,13-14,18H2,1H3
InChIKeyVFEDBXRECQMWAJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-[(3-bromophenyl)methyl]-N-methylethanamine
CID 61415614
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 43530779
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
ethyl 2-[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]acetate
CID 63380820
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43530781
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine (CID 43253622) is 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine is CN(CCOc1cccc(CN)c1)Cc1ccccc1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine?
The InChIKey is VFEDBXRECQMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(14-15-6-3-2-4-7-15)10-11-20-17-9-5-8-16(12-17)13-18/h2-9,12H,10-11,13-14,18H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine?
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.66, 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-benzyl-N-methylethanamine is sourced from PubChem (CID 43253622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).