3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile

C15H15N3O — CID 107655832

IUPAC3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OC(CN)c1ccncc1
InChIInChI=1S/C15H15N3O/c1-11-2-3-12(9-16)8-14(11)19-15(10-17)13-4-6-18-7-5-13/h2-8,15H,10,17H2,1H3
InChIKeyWGOVCBUIZATONV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.34
Rot. Bonds4

About 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile

3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile (PubChem CID 107655832) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile
PubChem CID107655832
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1OC(CN)c1ccncc1
InChIInChI=1S/C15H15N3O/c1-11-2-3-12(9-16)8-14(11)19-15(10-17)13-4-6-18-7-5-13/h2-8,15H,10,17H2,1H3
InChIKeyWGOVCBUIZATONV-UHFFFAOYSA-N
XLogP2.34
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminopropan-2-yloxy)-4-methylbenzonitrile
CID 107658257
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
3-aminooxy-4-methylbenzonitrile
CID 130500377
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
3-(2,2-difluoroethoxy)-4-methylbenzonitrile
CID 104853689
3-(6-chlorohexoxy)-4-methylbenzonitrile
CID 107657561
4-(2-amino-1-phenylethoxy)benzonitrile
CID 55017587
CID 59749252
CID 59749252
4-methyl-3-(methylsulfanylmethoxy)benzonitrile
CID 131020707
4-methyl-3-prop-2-ynoxybenzonitrile
CID 104841829
3-(9-bromononoxy)-4-methylbenzonitrile
CID 107657579
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
CID 55191488

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile?
The IUPAC name of 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile (CID 107655832) is 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile.
What is the SMILES notation for 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile?
The canonical SMILES for 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile is Cc1ccc(C#N)cc1OC(CN)c1ccncc1.
What is the InChIKey of 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile?
The InChIKey is WGOVCBUIZATONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-2-3-12(9-16)8-14(11)19-15(10-17)13-4-6-18-7-5-13/h2-8,15H,10,17H2,1H3.
What are the key properties of 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile?
3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-pyridin-4-ylethoxy)-4-methylbenzonitrile is sourced from PubChem (CID 107655832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).