4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile

C16H18N2O — CID 65250280

IUPAC4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCOc1ccc(N)c2ccccc12
InChIInChI=1S/C16H18N2O/c1-16(2,11-17)9-10-19-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-8H,9-10,18H2,1-2H3
InChIKeyKABCAUYWMKNAKH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.74
Rot. Bonds4

About 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile

4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile (PubChem CID 65250280) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile
PubChem CID65250280
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCOc1ccc(N)c2ccccc12
InChIInChI=1S/C16H18N2O/c1-16(2,11-17)9-10-19-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-8H,9-10,18H2,1-2H3
InChIKeyKABCAUYWMKNAKH-UHFFFAOYSA-N
XLogP3.74
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
4-(2-amino-6-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 107715656
4-(2-amino-4-methylphenoxy)-2,2-dimethylbutanenitrile
CID 65249994
4-(2-bromophenoxy)-2,2-dimethylbutanenitrile
CID 65253439
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
CID 65251986
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
2,2-dimethyl-4-(2-nitrophenoxy)butanenitrile
CID 65256818
4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile (CID 65250280) is 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile is CC(C)(C#N)CCOc1ccc(N)c2ccccc12.
What is the InChIKey of 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile?
The InChIKey is KABCAUYWMKNAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2,11-17)9-10-19-15-8-7-14(18)12-5-3-4-6-13(12)15/h3-8H,9-10,18H2,1-2H3.
What are the key properties of 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile?
4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile has a molecular weight of 254.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65250280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).