2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile

C18H26N2O — CID 43784266

IUPAC2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
SMILESCCC1CCCCC1NC(C)c1ccc(OCC#N)cc1
InChIInChI=1S/C18H26N2O/c1-3-15-6-4-5-7-18(15)20-14(2)16-8-10-17(11-9-16)21-13-12-19/h8-11,14-15,18,20H,3-7,13H2,1-2H3
InChIKeyQQANRETVKDSZSW-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.21
Rot. Bonds6

About 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile

2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile (PubChem CID 43784266) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
PubChem CID43784266
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
SMILESCCC1CCCCC1NC(C)c1ccc(OCC#N)cc1
InChIInChI=1S/C18H26N2O/c1-3-15-6-4-5-7-18(15)20-14(2)16-8-10-17(11-9-16)21-13-12-19/h8-11,14-15,18,20H,3-7,13H2,1-2H3
InChIKeyQQANRETVKDSZSW-UHFFFAOYSA-N
XLogP4.21
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
CID 64923501
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
2-[4-[1-[(1,1-dioxothian-3-yl)amino]ethyl]phenoxy]acetonitrile
CID 63922916
2-[4-[1-(1-cyclopropylethylamino)ethyl]phenoxy]acetonitrile
CID 43776527
2-[4-[1-[(4-hydroxycyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 106126098
2-[4-[1-[(3-methylcyclohexyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103883947
3-[1-[(2-ethylcyclohexyl)amino]ethyl]phenol
CID 43709481
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43788970
2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103922020

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile (CID 43784266) is 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile is CCC1CCCCC1NC(C)c1ccc(OCC#N)cc1.
What is the InChIKey of 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile?
The InChIKey is QQANRETVKDSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-15-6-4-5-7-18(15)20-14(2)16-8-10-17(11-9-16)21-13-12-19/h8-11,14-15,18,20H,3-7,13H2,1-2H3.
What are the key properties of 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile?
2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile has a molecular weight of 286.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 43784266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).