2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile

C14H18N2O2 — CID 82838217

IUPAC2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
SMILESCOc1cccc(NC(C#N)C2CCC(C)O2)c1
InChIInChI=1S/C14H18N2O2/c1-10-6-7-14(18-10)13(9-15)16-11-4-3-5-12(8-11)17-2/h3-5,8,10,13-14,16H,6-7H2,1-2H3
InChIKeyMORFNLUDCIKMDR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds4

About 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile

2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile (PubChem CID 82838217) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
PubChem CID82838217
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
SMILESCOc1cccc(NC(C#N)C2CCC(C)O2)c1
InChIInChI=1S/C14H18N2O2/c1-10-6-7-14(18-10)13(9-15)16-11-4-3-5-12(8-11)17-2/h3-5,8,10,13-14,16H,6-7H2,1-2H3
InChIKeyMORFNLUDCIKMDR-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoroanilino)-2-(5-methyloxolan-2-yl)acetonitrile
CID 82837872
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838074
ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82840137
2-(3-methoxyanilino)-2-(oxan-3-yl)acetonitrile
CID 63739529
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
2-(4-methoxyanilino)-2-(oxolan-2-yl)acetonitrile
CID 82837638
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837161

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile?
The IUPAC name of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile (CID 82838217) is 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile?
The canonical SMILES for 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile is COc1cccc(NC(C#N)C2CCC(C)O2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile?
The InChIKey is MORFNLUDCIKMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-6-7-14(18-10)13(9-15)16-11-4-3-5-12(8-11)17-2/h3-5,8,10,13-14,16H,6-7H2,1-2H3.
What are the key properties of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile?
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.57, 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-(5-methyloxolan-2-yl)acetonitrile is sourced from PubChem (CID 82838217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).