2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile

C14H14N2O — CID 115129936

IUPAC2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile
SMILESCOc1ccc2cc(NC(C)C#N)ccc2c1
InChIInChI=1S/C14H14N2O/c1-10(9-15)16-13-5-3-12-8-14(17-2)6-4-11(12)7-13/h3-8,10,16H,1-2H3
InChIKeyPKZPAGYCZTWHDC-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.17
Rot. Bonds3

About 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile

2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile (PubChem CID 115129936) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile
PubChem CID115129936
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile
SMILESCOc1ccc2cc(NC(C)C#N)ccc2c1
InChIInChI=1S/C14H14N2O/c1-10(9-15)16-13-5-3-12-8-14(17-2)6-4-11(12)7-13/h3-8,10,16H,1-2H3
InChIKeyPKZPAGYCZTWHDC-UHFFFAOYSA-N
XLogP3.17
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
2-bromo-2-(6-methoxynaphthalen-2-yl)acetonitrile
CID 83085596
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
2-(4-chloroanilino)propanenitrile
CID 60987659
1-[[(6-methoxynaphthalen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242037
N'-(6-methoxynaphthalen-2-yl)-2-methylpropane-1,3-diamine
CID 115198334
3-ethyl-2-(4-methoxyanilino)pentanenitrile
CID 61318503
2-[4-methyl-3-(trifluoromethyl)anilino]propanenitrile
CID 60706592
N-(1-cyanoethyl)-4-methoxybenzamide
CID 61119459
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
N-(1-cyanoethyl)-2-hydroxy-5-methoxybenzamide
CID 55207961
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile (CID 115129936) is 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile is COc1ccc2cc(NC(C)C#N)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile?
The InChIKey is PKZPAGYCZTWHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-10(9-15)16-13-5-3-12-8-14(17-2)6-4-11(12)7-13/h3-8,10,16H,1-2H3.
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile?
2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile has a molecular weight of 226.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)amino]propanenitrile is sourced from PubChem (CID 115129936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).