6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile

C16H24N2O — CID 106708323

IUPAC6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOCCc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-16(2,13-17)10-5-6-11-19-12-9-14-7-3-4-8-15(14)18/h3-4,7-8H,5-6,9-12,18H2,1-2H3
InChIKeyHCDRQIIRAYFJAM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds8

About 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile

6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile (PubChem CID 106708323) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile
PubChem CID106708323
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile
SMILESCC(C)(C#N)CCCCOCCc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-16(2,13-17)10-5-6-11-19-12-9-14-7-3-4-8-15(14)18/h3-4,7-8H,5-6,9-12,18H2,1-2H3
InChIKeyHCDRQIIRAYFJAM-UHFFFAOYSA-N
XLogP3.55
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methoxyethyl)aniline
CID 15208917
2-(2-Methoxypropyl)aniline
CID 85901877
p-Aminophenylethyl ether
CID 123368938
2-(2-Aminophenyl)-2-methylpropan-1-ol
CID 15208922
4-(2-Ethoxyethyl)aniline
CID 43519647
2-[2-(2,2,2-Trifluoroethoxy)ethyl]aniline
CID 62496422
2-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]aniline
CID 66276065
2-[2-(2,2-Difluoroethoxy)ethyl]aniline
CID 82003918
2-[2-(4,4,4-Trifluorobutoxy)ethyl]aniline
CID 82789042
2-[2-(3,3,3-Trifluoropropoxy)ethyl]aniline
CID 82955964
2-(1-Fluoro-2-methoxyethyl)aniline
CID 83855740
2-(1,1-Difluoro-2-methoxyethyl)aniline
CID 83855741

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile (CID 106708323) is 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile is CC(C)(C#N)CCCCOCCc1ccccc1N.
What is the InChIKey of 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile?
The InChIKey is HCDRQIIRAYFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,13-17)10-5-6-11-19-12-9-14-7-3-4-8-15(14)18/h3-4,7-8H,5-6,9-12,18H2,1-2H3.
What are the key properties of 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile?
6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-aminophenyl)ethoxy]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106708323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).