2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile

C18H18N2 — CID 79984649

IUPAC2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1cccc(C2CC2)c1
InChIInChI=1S/C18H18N2/c1-13-5-2-3-8-17(13)20-18(12-19)16-7-4-6-15(11-16)14-9-10-14/h2-8,11,14,18,20H,9-10H2,1H3
InChIKeyCJXBUVUMFQCILK-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile

2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile (PubChem CID 79984649) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile
PubChem CID79984649
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1cccc(C2CC2)c1
InChIInChI=1S/C18H18N2/c1-13-5-2-3-8-17(13)20-18(12-19)16-7-4-6-15(11-16)14-9-10-14/h2-8,11,14,18,20H,9-10H2,1H3
InChIKeyCJXBUVUMFQCILK-UHFFFAOYSA-N
XLogP4.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile (CID 79984649) is 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile is Cc1ccccc1NC(C#N)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile?
The InChIKey is CJXBUVUMFQCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-5-2-3-8-17(13)20-18(12-19)16-7-4-6-15(11-16)14-9-10-14/h2-8,11,14,18,20H,9-10H2,1H3.
What are the key properties of 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile?
2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 79984649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).