2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine

C17H21NO2 — CID 82552147

IUPAC2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(Oc2ccccc2)cc1CCNC
InChIInChI=1S/C17H21NO2/c1-3-19-17-10-9-16(13-14(17)11-12-18-2)20-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeySMOGRBWLRYZZEH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine

2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine (PubChem CID 82552147) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
PubChem CID82552147
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
SMILESCCOc1ccc(Oc2ccccc2)cc1CCNC
InChIInChI=1S/C17H21NO2/c1-3-19-17-10-9-16(13-14(17)11-12-18-2)20-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3
InChIKeySMOGRBWLRYZZEH-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
CID 82552134
2-[2-(methylamino)ethyl]-4-phenoxyphenol
CID 82552120
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
CID 82552125
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81048996
2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267164
2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
2-ethoxy-5-phenoxybenzenesulfonamide
CID 155234436
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine (CID 82552147) is 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine is CCOc1ccc(Oc2ccccc2)cc1CCNC.
What is the InChIKey of 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine?
The InChIKey is SMOGRBWLRYZZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-19-17-10-9-16(13-14(17)11-12-18-2)20-15-7-5-4-6-8-15/h4-10,13,18H,3,11-12H2,1-2H3.
What are the key properties of 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine?
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82552147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).