2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile

C17H18N2O — CID 43764488

IUPAC2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
SMILESCCc1ccccc1NCc1cccc(OCC#N)c1
InChIInChI=1S/C17H18N2O/c1-2-15-7-3-4-9-17(15)19-13-14-6-5-8-16(12-14)20-11-10-18/h3-9,12,19H,2,11,13H2,1H3
InChIKeyOKXOGNGWYIQTEV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.76
Rot. Bonds6

About 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile

2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile (PubChem CID 43764488) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
PubChem CID43764488
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
SMILESCCc1ccccc1NCc1cccc(OCC#N)c1
InChIInChI=1S/C17H18N2O/c1-2-15-7-3-4-9-17(15)19-13-14-6-5-8-16(12-14)20-11-10-18/h3-9,12,19H,2,11,13H2,1H3
InChIKeyOKXOGNGWYIQTEV-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-nitroanilino)methyl]phenoxy]acetonitrile
CID 43785457
2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764258
2-[3-[(2,4,5-trifluoroanilino)methyl]phenoxy]acetonitrile
CID 62815711
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
2-[3-[(2-bromo-3-chloroanilino)methyl]phenoxy]acetonitrile
CID 103478348
2-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
2-[3-[(2-chloro-4-methylanilino)methyl]phenoxy]acetonitrile
CID 43772613
2-[3-[(2-methoxy-5-methylanilino)methyl]phenoxy]acetonitrile
CID 43761084
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
CID 61017001
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
2-[3-[(4-bromo-2,5-difluoroanilino)methyl]phenoxy]acetonitrile
CID 107609882

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile (CID 43764488) is 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile is CCc1ccccc1NCc1cccc(OCC#N)c1.
What is the InChIKey of 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile?
The InChIKey is OKXOGNGWYIQTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-15-7-3-4-9-17(15)19-13-14-6-5-8-16(12-14)20-11-10-18/h3-9,12,19H,2,11,13H2,1H3.
What are the key properties of 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile?
2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43764488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).