2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile

C17H24N2O — CID 43434087

IUPAC2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
SMILESCCC1CCCCC1NCc1ccccc1OCC#N
InChIInChI=1S/C17H24N2O/c1-2-14-7-3-5-9-16(14)19-13-15-8-4-6-10-17(15)20-12-11-18/h4,6,8,10,14,16,19H,2-3,5,7,9,12-13H2,1H3
InChIKeyYRJNIVDLLUEEEJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.65
Rot. Bonds6

About 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile

2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile (PubChem CID 43434087) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
PubChem CID43434087
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile
SMILESCCC1CCCCC1NCc1ccccc1OCC#N
InChIInChI=1S/C17H24N2O/c1-2-14-7-3-5-9-16(14)19-13-15-8-4-6-10-17(15)20-12-11-18/h4,6,8,10,14,16,19H,2-3,5,7,9,12-13H2,1H3
InChIKeyYRJNIVDLLUEEEJ-UHFFFAOYSA-N
XLogP3.65
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
CID 43784273
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
2-[2-[(oxan-4-ylamino)methyl]phenoxy]acetonitrile
CID 43778465
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenoxy]acetonitrile
CID 107849941
2-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 43223576
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
2-(2-ethylphenoxy)acetonitrile
CID 22688439
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile (CID 43434087) is 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile is CCC1CCCCC1NCc1ccccc1OCC#N.
What is the InChIKey of 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile?
The InChIKey is YRJNIVDLLUEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-14-7-3-5-9-16(14)19-13-15-8-4-6-10-17(15)20-12-11-18/h4,6,8,10,14,16,19H,2-3,5,7,9,12-13H2,1H3.
What are the key properties of 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile?
2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-ethylcyclohexyl)amino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 43434087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).