2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile

C14H18N2O2 — CID 63739529

IUPAC2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile
SMILESCOc1cccc(NC(C#N)C2CCCOC2)c1
InChIInChI=1S/C14H18N2O2/c1-17-13-6-2-5-12(8-13)16-14(9-15)11-4-3-7-18-10-11/h2,5-6,8,11,14,16H,3-4,7,10H2,1H3
InChIKeyJBSDMXJPOWTAOZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile

2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile (PubChem CID 63739529) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile
PubChem CID63739529
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile
SMILESCOc1cccc(NC(C#N)C2CCCOC2)c1
InChIInChI=1S/C14H18N2O2/c1-17-13-6-2-5-12(8-13)16-14(9-15)11-4-3-7-18-10-11/h2,5-6,8,11,14,16H,3-4,7,10H2,1H3
InChIKeyJBSDMXJPOWTAOZ-UHFFFAOYSA-N
XLogP2.43
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-2-(oxolan-3-yl)acetonitrile
CID 54886831
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
CID 82838217
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316
2-(3-chloroanilino)-2-cyclopentylacetonitrile
CID 62071246
2-(3-chloroanilino)-2-(oxan-4-yl)acetonitrile
CID 55066228
2-(4-methoxyanilino)-2-(oxolan-2-yl)acetonitrile
CID 82837638
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
CID 63740597
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile?
The IUPAC name of 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile (CID 63739529) is 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile?
The canonical SMILES for 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile is COc1cccc(NC(C#N)C2CCCOC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile?
The InChIKey is JBSDMXJPOWTAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-13-6-2-5-12(8-13)16-14(9-15)11-4-3-7-18-10-11/h2,5-6,8,11,14,16H,3-4,7,10H2,1H3.
What are the key properties of 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile?
2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile is sourced from PubChem (CID 63739529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).