N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine

C17H21NO2 — CID 4265241

IUPACN-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine
SMILESCN(CCOc1ccccc1)CCOc1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(12-14-19-16-8-4-2-5-9-16)13-15-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyDZBVWSMYZGNMCK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds8

About N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine

N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine (PubChem CID 4265241) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine
PubChem CID4265241
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine
SMILESCN(CCOc1ccccc1)CCOc1ccccc1
InChIInChI=1S/C17H21NO2/c1-18(12-14-19-16-8-4-2-5-9-16)13-15-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3
InChIKeyDZBVWSMYZGNMCK-UHFFFAOYSA-N
XLogP3.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine?
The IUPAC name of N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine (CID 4265241) is N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine.
What is the SMILES notation for N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine?
The canonical SMILES for N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine is CN(CCOc1ccccc1)CCOc1ccccc1.
What is the InChIKey of N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine?
The InChIKey is DZBVWSMYZGNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18(12-14-19-16-8-4-2-5-9-16)13-15-20-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3.
What are the key properties of N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine?
N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-(2-phenoxyethyl)ethanamine is sourced from PubChem (CID 4265241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).