N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine

C17H21NO2 — CID 82552134

IUPACN-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(Oc2ccccc2)ccc1OCC
InChIInChI=1S/C17H21NO2/c1-3-18-13-14-12-16(10-11-17(14)19-4-2)20-15-8-6-5-7-9-15/h5-12,18H,3-4,13H2,1-2H3
InChIKeyZZYYJKADPQGWLL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.99
Rot. Bonds7

About N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine

N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine (PubChem CID 82552134) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
PubChem CID82552134
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(Oc2ccccc2)ccc1OCC
InChIInChI=1S/C17H21NO2/c1-3-18-13-14-12-16(10-11-17(14)19-4-2)20-15-8-6-5-7-9-15/h5-12,18H,3-4,13H2,1-2H3
InChIKeyZZYYJKADPQGWLL-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
2-chloro-1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267164
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
4-phenoxy-2-(propylaminomethyl)aniline
CID 91807897
2-ethoxy-5-phenoxybenzenesulfonamide
CID 155234436

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine (CID 82552134) is N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine is CCNCc1cc(Oc2ccccc2)ccc1OCC.
What is the InChIKey of N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine?
The InChIKey is ZZYYJKADPQGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-13-14-12-16(10-11-17(14)19-4-2)20-15-8-6-5-7-9-15/h5-12,18H,3-4,13H2,1-2H3.
What are the key properties of N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine?
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82552134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).