2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile

C12H16N2O — CID 60889997

IUPAC2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
SMILESCNC(C)c1cc(C)ccc1OCC#N
InChIInChI=1S/C12H16N2O/c1-9-4-5-12(15-7-6-13)11(8-9)10(2)14-3/h4-5,8,10,14H,7H2,1-3H3
InChIKeyYHOUFICXCBARGU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile

2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile (PubChem CID 60889997) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
PubChem CID60889997
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
SMILESCNC(C)c1cc(C)ccc1OCC#N
InChIInChI=1S/C12H16N2O/c1-9-4-5-12(15-7-6-13)11(8-9)10(2)14-3/h4-5,8,10,14H,7H2,1-3H3
InChIKeyYHOUFICXCBARGU-UHFFFAOYSA-N
XLogP2.18
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
N-methyl-1-[5-methyl-2-(3-phenylprop-2-ynoxy)phenyl]ethanamine
CID 62340692
N-methyl-1-[5-methyl-2-(2-methylbutoxy)phenyl]ethanamine
CID 62103815
4-[[4-methyl-2-[1-(methylamino)ethyl]phenoxy]methyl]benzonitrile
CID 60889996
2,2-dimethyl-6-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]hexanenitrile
CID 106708794
N-methyl-1-[5-methyl-2-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 43505135
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
1-[2-[(2,6-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylethanamine
CID 63499730
2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile (CID 60889997) is 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile is CNC(C)c1cc(C)ccc1OCC#N.
What is the InChIKey of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile?
The InChIKey is YHOUFICXCBARGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-5-12(15-7-6-13)11(8-9)10(2)14-3/h4-5,8,10,14H,7H2,1-3H3.
What are the key properties of 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile?
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 60889997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).