2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile

C15H20N2O — CID 79860485

IUPAC2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile
SMILESCC1(C)CCCC1Nc1cccc(OCC#N)c1
InChIInChI=1S/C15H20N2O/c1-15(2)8-4-7-14(15)17-12-5-3-6-13(11-12)18-10-9-16/h3,5-6,11,14,17H,4,7-8,10H2,1-2H3
InChIKeyQJOBBCAYAUVWAU-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.58
Rot. Bonds4

About 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile

2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile (PubChem CID 79860485) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile
PubChem CID79860485
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile
SMILESCC1(C)CCCC1Nc1cccc(OCC#N)c1
InChIInChI=1S/C15H20N2O/c1-15(2)8-4-7-14(15)17-12-5-3-6-13(11-12)18-10-9-16/h3,5-6,11,14,17H,4,7-8,10H2,1-2H3
InChIKeyQJOBBCAYAUVWAU-UHFFFAOYSA-N
XLogP3.58
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
2-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenoxy]acetonitrile
CID 64852502
2-[3-[(3-methylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721143
2-[3-[(4-ethylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721135
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
2-[3-[(3-aminocyclohexyl)amino]phenoxy]acetonitrile
CID 79458944
2-[3-(oxepan-4-ylamino)phenoxy]acetonitrile
CID 65081691
N-[3-[(2,2-dimethylcyclopentyl)amino]phenyl]acetamide
CID 79864740
2-[3-(2,3-dihydro-1H-inden-1-ylamino)phenoxy]acetonitrile
CID 43721237
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
CID 80738185

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile (CID 79860485) is 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile is CC1(C)CCCC1Nc1cccc(OCC#N)c1.
What is the InChIKey of 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile?
The InChIKey is QJOBBCAYAUVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2)8-4-7-14(15)17-12-5-3-6-13(11-12)18-10-9-16/h3,5-6,11,14,17H,4,7-8,10H2,1-2H3.
What are the key properties of 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile?
2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-dimethylcyclopentyl)amino]phenoxy]acetonitrile is sourced from PubChem (CID 79860485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).