1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine

C18H23NO — CID 62801214

IUPAC1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2ccccc2OCC)c1
InChIInChI=1S/C18H23NO/c1-4-19-14(3)15-9-8-10-16(13-15)17-11-6-7-12-18(17)20-5-2/h6-14,19H,4-5H2,1-3H3
InChIKeyWGKYTSHVGQGUIL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.42
Rot. Bonds6

About 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine

1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine (PubChem CID 62801214) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
PubChem CID62801214
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2ccccc2OCC)c1
InChIInChI=1S/C18H23NO/c1-4-19-14(3)15-9-8-10-16(13-15)17-11-6-7-12-18(17)20-5-2/h6-14,19H,4-5H2,1-3H3
InChIKeyWGKYTSHVGQGUIL-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
N-ethyl-1-(3-isoquinolin-4-ylphenyl)ethanamine
CID 63941109
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-ethyl-1-(3,4,5-triethoxyphenyl)ethanamine
CID 115780806
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97108815
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
CID 79167101
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine (CID 62801214) is 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-c2ccccc2OCC)c1.
What is the InChIKey of 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine?
The InChIKey is WGKYTSHVGQGUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19-14(3)15-9-8-10-16(13-15)17-11-6-7-12-18(17)20-5-2/h6-14,19H,4-5H2,1-3H3.
What are the key properties of 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine?
1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethoxyphenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 62801214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).