2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile

C12H16N2O — CID 63323548

IUPAC2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
SMILESCCNCc1cc(C)ccc1OCC#N
InChIInChI=1S/C12H16N2O/c1-3-14-9-11-8-10(2)4-5-12(11)15-7-6-13/h4-5,8,14H,3,7,9H2,1-2H3
InChIKeyNRFBMNUPODFCCY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile

2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile (PubChem CID 63323548) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
PubChem CID63323548
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
SMILESCCNCc1cc(C)ccc1OCC#N
InChIInChI=1S/C12H16N2O/c1-3-14-9-11-8-10(2)4-5-12(11)15-7-6-13/h4-5,8,14H,3,7,9H2,1-2H3
InChIKeyNRFBMNUPODFCCY-UHFFFAOYSA-N
XLogP2.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
CID 60878332
2-[2-[(tert-butylamino)methyl]-4-methylphenoxy]acetonitrile
CID 63326558
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-(ethylaminomethyl)-4-nitrophenoxy]acetonitrile
CID 60889390
4-[2-(ethylaminomethyl)-4-methylphenoxy]-2-methylbutan-2-ol
CID 79360568
6-[2-(ethylaminomethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106708824
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
2-[2-(2-aminopropyl)-4-methylphenoxy]acetonitrile
CID 63326461
N-[(5-methyl-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 63323347
N-[[2-(2-butoxyethoxy)-5-methylphenyl]methyl]ethanamine
CID 63323068
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetonitrile
CID 60883116

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile?
The IUPAC name of 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile (CID 63323548) is 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile?
The canonical SMILES for 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile is CCNCc1cc(C)ccc1OCC#N.
What is the InChIKey of 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile?
The InChIKey is NRFBMNUPODFCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14-9-11-8-10(2)4-5-12(11)15-7-6-13/h4-5,8,14H,3,7,9H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile?
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile is sourced from PubChem (CID 63323548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).