2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile

C17H18N2O — CID 67545771

IUPAC2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile
SMILESCOc1ccc(-c2cc(N)ccc2C(C)(C)C#N)cc1
InChIInChI=1S/C17H18N2O/c1-17(2,11-18)16-9-6-13(19)10-15(16)12-4-7-14(20-3)8-5-12/h4-10H,19H2,1-3H3
InChIKeyBOWVFQNEHUSSSE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.75
Rot. Bonds3

About 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile

2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile (PubChem CID 67545771) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile
PubChem CID67545771
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile
SMILESCOc1ccc(-c2cc(N)ccc2C(C)(C)C#N)cc1
InChIInChI=1S/C17H18N2O/c1-17(2,11-18)16-9-6-13(19)10-15(16)12-4-7-14(20-3)8-5-12/h4-10H,19H2,1-3H3
InChIKeyBOWVFQNEHUSSSE-UHFFFAOYSA-N
XLogP3.75
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)-2-methylpropanenitrile
CID 67545496
5-[4-(2-cyanopropan-2-yl)-3-(4-methoxyphenyl)phenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
CID 142783107
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
2-(4-methoxy-2-methylsulfanylphenyl)-2-methylpropanenitrile
CID 84788203
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
4-fluoro-3-(6-methoxynaphthalen-2-yl)aniline
CID 104781273
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
2-methyl-2-(2-phenylphenyl)propanenitrile
CID 151853688
2-amino-2-(4-methoxyphenyl)propanenitrile
CID 16787695
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile (CID 67545771) is 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile is COc1ccc(-c2cc(N)ccc2C(C)(C)C#N)cc1.
What is the InChIKey of 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile?
The InChIKey is BOWVFQNEHUSSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2,11-18)16-9-6-13(19)10-15(16)12-4-7-14(20-3)8-5-12/h4-10H,19H2,1-3H3.
What are the key properties of 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile?
2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile has a molecular weight of 266.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(4-methoxyphenyl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 67545771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).