2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile

C12H16N2O2 — CID 62587499

IUPAC2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NCCO)cc1C
InChIInChI=1S/C12H16N2O2/c1-9-7-10(3-4-12(9)16-2)11(8-13)14-5-6-15/h3-4,7,11,14-15H,5-6H2,1-2H3
InChIKeyNFNLRIKBJNVGQD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.15
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile

2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile (PubChem CID 62587499) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
PubChem CID62587499
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)NCCO)cc1C
InChIInChI=1S/C12H16N2O2/c1-9-7-10(3-4-12(9)16-2)11(8-13)14-5-6-15/h3-4,7,11,14-15H,5-6H2,1-2H3
InChIKeyNFNLRIKBJNVGQD-UHFFFAOYSA-N
XLogP1.15
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 62586957
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 65026803
2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 103376060
2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile
CID 43115252
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(propylamino)acetonitrile
CID 43115215
2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 84817786
2-(cyclohexylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62132442
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059
methyl 2-cyano-2-(4-methoxy-3-methylphenyl)acetate
CID 82114134
2-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 65096153

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile (CID 62587499) is 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile is COc1ccc(C(C#N)NCCO)cc1C.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The InChIKey is NFNLRIKBJNVGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-10(3-4-12(9)16-2)11(8-13)14-5-6-15/h3-4,7,11,14-15H,5-6H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile?
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile is sourced from PubChem (CID 62587499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).