2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile

C11H14N2O — CID 16791985

IUPAC2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile
SMILESCC(N)(C#N)CCc1ccc(O)cc1
InChIInChI=1S/C11H14N2O/c1-11(13,8-12)7-6-9-2-4-10(14)5-3-9/h2-5,14H,6-7,13H2,1H3
InChIKeyPZEPVDLIQJUKDJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile

2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile (PubChem CID 16791985) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile
PubChem CID16791985
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile
SMILESCC(N)(C#N)CCc1ccc(O)cc1
InChIInChI=1S/C11H14N2O/c1-11(13,8-12)7-6-9-2-4-10(14)5-3-9/h2-5,14H,6-7,13H2,1H3
InChIKeyPZEPVDLIQJUKDJ-UHFFFAOYSA-N
XLogP1.57
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile?
The IUPAC name of 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile (CID 16791985) is 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile?
The canonical SMILES for 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile is CC(N)(C#N)CCc1ccc(O)cc1.
What is the InChIKey of 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile?
The InChIKey is PZEPVDLIQJUKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(13,8-12)7-6-9-2-4-10(14)5-3-9/h2-5,14H,6-7,13H2,1H3.
What are the key properties of 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile?
2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile is sourced from PubChem (CID 16791985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).