2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile

C17H18N2O — CID 61212447

IUPAC2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O/c1-13(2)20-16-10-6-7-14(11-16)17(12-18)19-15-8-4-3-5-9-15/h3-11,13,17,19H,1-2H3
InChIKeyJNBMNEFMOJCOPU-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.15
Rot. Bonds5

About 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile

2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile (PubChem CID 61212447) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
PubChem CID61212447
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
SMILESCC(C)Oc1cccc(C(C#N)Nc2ccccc2)c1
InChIInChI=1S/C17H18N2O/c1-13(2)20-16-10-6-7-14(11-16)17(12-18)19-15-8-4-3-5-9-15/h3-11,13,17,19H,1-2H3
InChIKeyJNBMNEFMOJCOPU-UHFFFAOYSA-N
XLogP4.15
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84817250
2-(2-bromoanilino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210570
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(3-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60990349
2-(cycloheptylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210573
2-(3-chloroanilino)-2-(3-methoxyphenyl)acetonitrile
CID 54887016
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile (CID 61212447) is 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile is CC(C)Oc1cccc(C(C#N)Nc2ccccc2)c1.
What is the InChIKey of 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile?
The InChIKey is JNBMNEFMOJCOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(2)20-16-10-6-7-14(11-16)17(12-18)19-15-8-4-3-5-9-15/h3-11,13,17,19H,1-2H3.
What are the key properties of 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile?
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile has a molecular weight of 266.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile is sourced from PubChem (CID 61212447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).