2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile

C16H16N2O — CID 142074998

IUPAC2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc(C)c(N)cc2O)cc1
InChIInChI=1S/C16H16N2O/c1-10-3-5-12(6-4-10)14(9-17)13-7-11(2)15(18)8-16(13)19/h3-8,14,19H,18H2,1-2H3
InChIKeyMHXAXYQFURQJFW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile

2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile (PubChem CID 142074998) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile
PubChem CID142074998
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc(C(C#N)c2cc(C)c(N)cc2O)cc1
InChIInChI=1S/C16H16N2O/c1-10-3-5-12(6-4-10)14(9-17)13-7-11(2)15(18)8-16(13)19/h3-8,14,19H,18H2,1-2H3
InChIKeyMHXAXYQFURQJFW-UHFFFAOYSA-N
XLogP3.25
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile?
The IUPAC name of 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile (CID 142074998) is 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile is Cc1ccc(C(C#N)c2cc(C)c(N)cc2O)cc1.
What is the InChIKey of 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile?
The InChIKey is MHXAXYQFURQJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10-3-5-12(6-4-10)14(9-17)13-7-11(2)15(18)8-16(13)19/h3-8,14,19H,18H2,1-2H3.
What are the key properties of 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile?
2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxy-5-methylphenyl)-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 142074998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).