N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine

C17H21NO2 — CID 803516

IUPACN-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine
SMILESCOc1ccc(OCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-18(14-15-6-4-3-5-7-15)12-13-20-17-10-8-16(19-2)9-11-17/h3-11H,12-14H2,1-2H3
InChIKeyGEHLCXBOLCJOMP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.21
Rot. Bonds7

About N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine

N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine (PubChem CID 803516) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine
PubChem CID803516
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine
SMILESCOc1ccc(OCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H21NO2/c1-18(14-15-6-4-3-5-7-15)12-13-20-17-10-8-16(19-2)9-11-17/h3-11H,12-14H2,1-2H3
InChIKeyGEHLCXBOLCJOMP-UHFFFAOYSA-N
XLogP3.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzethonium Chloride
CID 8478
Phenoxybenzamine
CID 4768
Phenyltoloxamine
CID 7077
Phenoxybenzamine Hydrochloride
CID 5284441
Tesmilifene
CID 108092
Bephenium
CID 19667
Benzethonium
CID 2335
Fomocaine
CID 71693
Stilonium Iodide
CID 6433339
Methylbenzethonium
CID 4135
Etoloxamine
CID 68950
Benzethonium chloride monohydrate
CID 21644026

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine?
The IUPAC name of N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine (CID 803516) is N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine?
The canonical SMILES for N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine is COc1ccc(OCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine?
The InChIKey is GEHLCXBOLCJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(14-15-6-4-3-5-7-15)12-13-20-17-10-8-16(19-2)9-11-17/h3-11H,12-14H2,1-2H3.
What are the key properties of N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine?
N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenoxy)-N-methylethanamine is sourced from PubChem (CID 803516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).