2-(methylamino)-4-naphthalen-2-yloxybutanenitrile

C15H16N2O — CID 63028831

IUPAC2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
SMILESCNC(C#N)CCOc1ccc2ccccc2c1
InChIInChI=1S/C15H16N2O/c1-17-14(11-16)8-9-18-15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,17H,8-9H2,1H3
InChIKeyKOPKYDHVWMBKAM-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.72
Rot. Bonds5

About 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile

2-(methylamino)-4-naphthalen-2-yloxybutanenitrile (PubChem CID 63028831) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
PubChem CID63028831
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(methylamino)-4-naphthalen-2-yloxybutanenitrile
SMILESCNC(C#N)CCOc1ccc2ccccc2c1
InChIInChI=1S/C15H16N2O/c1-17-14(11-16)8-9-18-15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,17H,8-9H2,1H3
InChIKeyKOPKYDHVWMBKAM-UHFFFAOYSA-N
XLogP2.72
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
CID 63028632
4-[4-(hydroxymethyl)phenoxy]-2-(methylamino)butanenitrile
CID 63052980
methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
2-(methylamino)-4-[2-(trifluoromethyl)phenoxy]butanenitrile
CID 55143143
1-(2-bromophenyl)-N-methyl-3-naphthalen-2-yloxypropan-1-amine;hydrochloride
CID 19884904
CID 58761521
CID 58761521
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile?
The IUPAC name of 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile (CID 63028831) is 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile.
What is the SMILES notation for 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile?
The canonical SMILES for 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile is CNC(C#N)CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile?
The InChIKey is KOPKYDHVWMBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-14(11-16)8-9-18-15-7-6-12-4-2-3-5-13(12)10-15/h2-7,10,14,17H,8-9H2,1H3.
What are the key properties of 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile?
2-(methylamino)-4-naphthalen-2-yloxybutanenitrile has a molecular weight of 240.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-naphthalen-2-yloxybutanenitrile is sourced from PubChem (CID 63028831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).