2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile

C17H24N2O — CID 43288697

IUPAC2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
SMILESCN(CCOc1ccc(CC#N)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-19(16-5-3-2-4-6-16)13-14-20-17-9-7-15(8-10-17)11-12-18/h7-10,16H,2-6,11,13-14H2,1H3
InChIKeyBDCOSNDMYPCVMN-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile

2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile (PubChem CID 43288697) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
PubChem CID43288697
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
SMILESCN(CCOc1ccc(CC#N)cc1)C1CCCCC1
InChIInChI=1S/C17H24N2O/c1-19(16-5-3-2-4-6-16)13-14-20-17-9-7-15(8-10-17)11-12-18/h7-10,16H,2-6,11,13-14H2,1H3
InChIKeyBDCOSNDMYPCVMN-UHFFFAOYSA-N
XLogP3.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
2-[4-[2-[methyl-(2-methyloxolan-3-yl)amino]ethoxy]phenyl]acetonitrile
CID 82738252
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[4-[2-[4-(dimethylamino)piperidin-1-yl]ethoxy]phenyl]acetonitrile
CID 43586007
2-[4-(2-cyclohexylsulfonylethoxy)phenyl]acetonitrile
CID 64691638
N-[3-(4-bromophenoxy)propyl]-N-methylcyclohexanamine
CID 5262176
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile (CID 43288697) is 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile is CN(CCOc1ccc(CC#N)cc1)C1CCCCC1.
What is the InChIKey of 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile?
The InChIKey is BDCOSNDMYPCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(16-5-3-2-4-6-16)13-14-20-17-9-7-15(8-10-17)11-12-18/h7-10,16H,2-6,11,13-14H2,1H3.
What are the key properties of 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile?
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 43288697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).