4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile

C17H18N2O — CID 60882909

IUPAC4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
SMILESCCNCc1ccccc1OCc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O/c1-2-19-12-16-5-3-4-6-17(16)20-13-15-9-7-14(11-18)8-10-15/h3-10,19H,2,12-13H2,1H3
InChIKeyQSCHUEJLPIEBGJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.25
Rot. Bonds6

About 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile

4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile (PubChem CID 60882909) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
PubChem CID60882909
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
SMILESCCNCc1ccccc1OCc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O/c1-2-19-12-16-5-3-4-6-17(16)20-13-15-9-7-14(11-18)8-10-15/h3-10,19H,2,12-13H2,1H3
InChIKeyQSCHUEJLPIEBGJ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
4-[[(3-ethoxy-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60918198
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
3-[[4-chloro-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882575
3-[[4-bromo-2-(ethylaminomethyl)phenoxy]methyl]benzonitrile
CID 60882737
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
4-[(2-butan-2-ylphenoxy)methyl]benzonitrile
CID 43081608
4-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60889745
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile (CID 60882909) is 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile is CCNCc1ccccc1OCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile?
The InChIKey is QSCHUEJLPIEBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-19-12-16-5-3-4-6-17(16)20-13-15-9-7-14(11-18)8-10-15/h3-10,19H,2,12-13H2,1H3.
What are the key properties of 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile?
4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylaminomethyl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 60882909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).