3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile

C16H22N2O2 — CID 107713933

IUPAC3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(Oc2ccccc2CCO)C1
InChIInChI=1S/C16H22N2O2/c1-18-16(12-17)9-4-6-14(11-16)20-15-7-3-2-5-13(15)8-10-19/h2-3,5,7,14,18-19H,4,6,8-11H2,1H3
InChIKeyFGAKTQPEWMPGFW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.02
Rot. Bonds5

About 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile

3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile (PubChem CID 107713933) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile
PubChem CID107713933
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile
SMILESCNC1(C#N)CCCC(Oc2ccccc2CCO)C1
InChIInChI=1S/C16H22N2O2/c1-18-16(12-17)9-4-6-14(11-16)20-15-7-3-2-5-13(15)8-10-19/h2-3,5,7,14,18-19H,4,6,8-11H2,1H3
InChIKeyFGAKTQPEWMPGFW-UHFFFAOYSA-N
XLogP2.02
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile 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-[2-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107714218
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
2-[2-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanol
CID 107713039
3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649579
3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625837
[3-(2-fluorophenoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640904
1-(cyclopropylamino)-3-(2,3-dimethylphenoxy)cyclohexane-1-carbonitrile
CID 79626720
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626579
3-(2-chloro-6-nitrophenoxy)-1-(methylamino)cyclohexane-1-carbonitrile
CID 107718312
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203
3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79650115
[2-[3-(hydroxymethyl)-3-(propylamino)cyclohexyl]oxyphenyl]methanol
CID 79638491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile (CID 107713933) is 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile is CNC1(C#N)CCCC(Oc2ccccc2CCO)C1.
What is the InChIKey of 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile?
The InChIKey is FGAKTQPEWMPGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-16(12-17)9-4-6-14(11-16)20-15-7-3-2-5-13(15)8-10-19/h2-3,5,7,14,18-19H,4,6,8-11H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile?
3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)phenoxy]-1-(methylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 107713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).