2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile

C13H18N2O — CID 60887297

IUPAC2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
SMILESCCNC(C)c1cc(C)ccc1OCC#N
InChIInChI=1S/C13H18N2O/c1-4-15-11(3)12-9-10(2)5-6-13(12)16-8-7-14/h5-6,9,11,15H,4,8H2,1-3H3
InChIKeyAQCMMJOYTMVQFU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.57
Rot. Bonds5

About 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile

2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile (PubChem CID 60887297) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
PubChem CID60887297
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
SMILESCCNC(C)c1cc(C)ccc1OCC#N
InChIInChI=1S/C13H18N2O/c1-4-15-11(3)12-9-10(2)5-6-13(12)16-8-7-14/h5-6,9,11,15H,4,8H2,1-3H3
InChIKeyAQCMMJOYTMVQFU-UHFFFAOYSA-N
XLogP2.57
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
CID 79167893
1-[5-bromo-2-(2,4-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 82956465
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
N-ethyl-1-[2-(2-ethylhexoxy)-5-methylphenyl]ethanamine
CID 63499914
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile?
The IUPAC name of 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile (CID 60887297) is 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile?
The canonical SMILES for 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile is CCNC(C)c1cc(C)ccc1OCC#N.
What is the InChIKey of 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile?
The InChIKey is AQCMMJOYTMVQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-15-11(3)12-9-10(2)5-6-13(12)16-8-7-14/h5-6,9,11,15H,4,8H2,1-3H3.
What are the key properties of 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile?
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile is sourced from PubChem (CID 60887297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).