3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile

C11H14N2O — CID 107658257

IUPAC3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OC(C)CN
InChIInChI=1S/C11H14N2O/c1-8-3-4-10(7-13)5-11(8)14-9(2)6-12/h3-5,9H,6,12H2,1-2H3
InChIKeyYELYDOFANIFTAU-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.59
Rot. Bonds3

About 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile

3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile (PubChem CID 107658257) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
PubChem CID107658257
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OC(C)CN
InChIInChI=1S/C11H14N2O/c1-8-3-4-10(7-13)5-11(8)14-9(2)6-12/h3-5,9H,6,12H2,1-2H3
InChIKeyYELYDOFANIFTAU-UHFFFAOYSA-N
XLogP1.59
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile
CID 107655832
3-aminooxy-4-methylbenzonitrile
CID 130500377
3-(1-aminopropan-2-yloxy)benzonitrile
CID 82224541
CID 59749252
CID 59749252
3-(2,2-difluoroethoxy)-4-methylbenzonitrile
CID 104853689
4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267
N-carbamoyl-2-(5-cyano-2-methylphenoxy)propanamide
CID 107663137
4-methyl-3-prop-2-ynoxybenzonitrile
CID 104841829
4-methyl-3-(methylsulfanylmethoxy)benzonitrile
CID 131020707
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
CID 107663138
4-methyl-3-(3-methylbut-3-enoxy)benzonitrile
CID 104922613

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile?
The IUPAC name of 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile (CID 107658257) is 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile.
What is the SMILES notation for 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile?
The canonical SMILES for 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile is Cc1ccc(C#N)cc1OC(C)CN.
What is the InChIKey of 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile?
The InChIKey is YELYDOFANIFTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-3-4-10(7-13)5-11(8)14-9(2)6-12/h3-5,9H,6,12H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile?
3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile is sourced from PubChem (CID 107658257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).