2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile

C18H26N2O — CID 64923501

IUPAC2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
SMILESCCC1CCC(NC(C)c2ccc(OCC#N)cc2)C1C
InChIInChI=1S/C18H26N2O/c1-4-15-7-10-18(13(15)2)20-14(3)16-5-8-17(9-6-16)21-12-11-19/h5-6,8-9,13-15,18,20H,4,7,10,12H2,1-3H3
InChIKeyOSHDYGPLJNMBDD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.06
Rot. Bonds6

About 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile

2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile (PubChem CID 64923501) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
PubChem CID64923501
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile
SMILESCCC1CCC(NC(C)c2ccc(OCC#N)cc2)C1C
InChIInChI=1S/C18H26N2O/c1-4-15-7-10-18(13(15)2)20-14(3)16-5-8-17(9-6-16)21-12-11-19/h5-6,8-9,13-15,18,20H,4,7,10,12H2,1-3H3
InChIKeyOSHDYGPLJNMBDD-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[(2-ethylcyclohexyl)amino]ethyl]phenoxy]acetonitrile
CID 43784266
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
3-ethyl-2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentan-1-amine
CID 64922146
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-ethyl-2-methyl-N-(1-pyridin-2-ylethyl)cyclopentan-1-amine
CID 64921322
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
2-[4-[1-[(1-cyclopropylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103922020
2-[4-[1-[(1,1-dioxothian-3-yl)amino]ethyl]phenoxy]acetonitrile
CID 63922916
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-[4-[1-(3-cyclopentylpropylamino)ethyl]phenoxy]acetonitrile
CID 103913730

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile?
The IUPAC name of 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile (CID 64923501) is 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile is CCC1CCC(NC(C)c2ccc(OCC#N)cc2)C1C.
What is the InChIKey of 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile?
The InChIKey is OSHDYGPLJNMBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-15-7-10-18(13(15)2)20-14(3)16-5-8-17(9-6-16)21-12-11-19/h5-6,8-9,13-15,18,20H,4,7,10,12H2,1-3H3.
What are the key properties of 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile?
2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile has a molecular weight of 286.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3-ethyl-2-methylcyclopentyl)amino]ethyl]phenoxy]acetonitrile is sourced from PubChem (CID 64923501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).