2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile

C17H24N2O2 — CID 106126098

IUPAC2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
SMILESCC(NCC1CCC(O)CC1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H24N2O2/c1-13(19-12-14-2-6-16(20)7-3-14)15-4-8-17(9-5-15)21-11-10-18/h4-5,8-9,13-14,16,19-20H,2-3,6-7,11-12H2,1H3
InChIKeyXTNCIKJVALFTDP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds6

About 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile

2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile (PubChem CID 106126098) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
PubChem CID106126098
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
SMILESCC(NCC1CCC(O)CC1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H24N2O2/c1-13(19-12-14-2-6-16(20)7-3-14)15-4-8-17(9-5-15)21-11-10-18/h4-5,8-9,13-14,16,19-20H,2-3,6-7,11-12H2,1H3
InChIKeyXTNCIKJVALFTDP-UHFFFAOYSA-N
XLogP2.79
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile 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-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730
2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103922020
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
2-[4-[1-(3-aminopropylamino)ethyl]phenoxy]acetonitrile
CID 55021387
2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
CID 43784266
2-[4-[1-(octylamino)ethyl]phenoxy]acetonitrile
CID 115566869
4-[1-[4-(cyanomethoxy)phenyl]ethylamino]butanoic acid
CID 60782816
2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
CID 64923501
2-[4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenoxy]acetonitrile
CID 103913742

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile (CID 106126098) is 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile is CC(NCC1CCC(O)CC1)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile?
The InChIKey is XTNCIKJVALFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(19-12-14-2-6-16(20)7-3-14)15-4-8-17(9-5-15)21-11-10-18/h4-5,8-9,13-14,16,19-20H,2-3,6-7,11-12H2,1H3.
What are the key properties of 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile?
2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 106126098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).