3-(2-ethoxyanilino)-3-phenylpropanenitrile

C17H18N2O — CID 62778692

IUPAC3-(2-ethoxyanilino)-3-phenylpropanenitrile
SMILESCCOc1ccccc1NC(CC#N)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-20-17-11-7-6-10-16(17)19-15(12-13-18)14-8-4-3-5-9-14/h3-11,15,19H,2,12H2,1H3
InChIKeyCUUUGRUXDDEFBZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.15
Rot. Bonds6

About 3-(2-ethoxyanilino)-3-phenylpropanenitrile

3-(2-ethoxyanilino)-3-phenylpropanenitrile (PubChem CID 62778692) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-3-phenylpropanenitrile
PubChem CID62778692
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(2-ethoxyanilino)-3-phenylpropanenitrile
SMILESCCOc1ccccc1NC(CC#N)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-20-17-11-7-6-10-16(17)19-15(12-13-18)14-8-4-3-5-9-14/h3-11,15,19H,2,12H2,1H3
InChIKeyCUUUGRUXDDEFBZ-UHFFFAOYSA-N
XLogP4.15
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyanilino)-3-phenylpropanenitrile
CID 62778351
N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine
CID 20504988
3-(2-methylsulfanylanilino)-3-phenylpropanenitrile
CID 107644742
3-(2-methoxy-5-methylanilino)-3-phenylpropanenitrile
CID 62780374
3-(4-fluoro-2-iodoanilino)-3-phenylpropanenitrile
CID 79769594
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81390162
3-(2-ethoxyanilino)propanenitrile
CID 7100
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
3-(4-bromo-3-methoxyanilino)-3-phenylpropanenitrile
CID 82867525
3-(3-fluoro-4-methoxyanilino)-3-phenylpropanenitrile
CID 62780205
1-(2-ethoxyphenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 100653732

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-3-phenylpropanenitrile?
The IUPAC name of 3-(2-ethoxyanilino)-3-phenylpropanenitrile (CID 62778692) is 3-(2-ethoxyanilino)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(2-ethoxyanilino)-3-phenylpropanenitrile?
The canonical SMILES for 3-(2-ethoxyanilino)-3-phenylpropanenitrile is CCOc1ccccc1NC(CC#N)c1ccccc1.
What is the InChIKey of 3-(2-ethoxyanilino)-3-phenylpropanenitrile?
The InChIKey is CUUUGRUXDDEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-20-17-11-7-6-10-16(17)19-15(12-13-18)14-8-4-3-5-9-14/h3-11,15,19H,2,12H2,1H3.
What are the key properties of 3-(2-ethoxyanilino)-3-phenylpropanenitrile?
3-(2-ethoxyanilino)-3-phenylpropanenitrile has a molecular weight of 266.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-3-phenylpropanenitrile is sourced from PubChem (CID 62778692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).