2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile

C17H18N2O — CID 43764258

IUPAC2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile
SMILESCCc1ccc(NCc2cccc(OCC#N)c2)cc1
InChIInChI=1S/C17H18N2O/c1-2-14-6-8-16(9-7-14)19-13-15-4-3-5-17(12-15)20-11-10-18/h3-9,12,19H,2,11,13H2,1H3
InChIKeyJFTPQWWUIFMUQB-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.76
Rot. Bonds6

About 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile

2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile (PubChem CID 43764258) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile
PubChem CID43764258
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile
SMILESCCc1ccc(NCc2cccc(OCC#N)c2)cc1
InChIInChI=1S/C17H18N2O/c1-2-14-6-8-16(9-7-14)19-13-15-4-3-5-17(12-15)20-11-10-18/h3-9,12,19H,2,11,13H2,1H3
InChIKeyJFTPQWWUIFMUQB-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-[4-[(3-ethoxyphenyl)methylamino]phenoxy]acetonitrile
CID 60871975
2-[4-[[3-(cyanomethoxy)phenyl]methylamino]phenyl]acetonitrile
CID 43786394
2-[3-[(4-propan-2-ylanilino)methyl]phenoxy]acetonitrile
CID 43760546
N-[(3-butoxyphenyl)methyl]-4-ethylaniline
CID 39384038
2-[3-[(3-hydroxyanilino)methyl]phenoxy]acetonitrile
CID 43770960
2-[3-[(2-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764488
2-[3-[[3-(hydroxymethyl)anilino]methyl]phenoxy]acetonitrile
CID 43784672
2-[3-[(3,4-dimethylphenyl)methylamino]phenoxy]acetonitrile
CID 43786086
2-[3-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile
CID 43721156
2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
2-[3-[(1H-indazol-6-ylamino)methyl]phenoxy]acetonitrile
CID 43790594
2-[3-[(4-propan-2-ylphenyl)methylamino]phenoxy]acetonitrile
CID 43721163

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile (CID 43764258) is 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile is CCc1ccc(NCc2cccc(OCC#N)c2)cc1.
What is the InChIKey of 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile?
The InChIKey is JFTPQWWUIFMUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-14-6-8-16(9-7-14)19-13-15-4-3-5-17(12-15)20-11-10-18/h3-9,12,19H,2,11,13H2,1H3.
What are the key properties of 2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile?
2-[3-[(4-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-[(4-ethylanilino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43764258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).