1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile

C16H22N2O2 — CID 79576804

IUPAC1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCOc1cc(C)ccc1OCCC1CCCC1(N)C#N
InChIInChI=1S/C16H22N2O2/c1-12-5-6-14(15(10-12)19-2)20-9-7-13-4-3-8-16(13,18)11-17/h5-6,10,13H,3-4,7-9,18H2,1-2H3
InChIKeyJDEAYFAJQMWOEP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.79
Rot. Bonds5

About 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576804) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79576804
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCOc1cc(C)ccc1OCCC1CCCC1(N)C#N
InChIInChI=1S/C16H22N2O2/c1-12-5-6-14(15(10-12)19-2)20-9-7-13-4-3-8-16(13,18)11-17/h5-6,10,13H,3-4,7-9,18H2,1-2H3
InChIKeyJDEAYFAJQMWOEP-UHFFFAOYSA-N
XLogP2.79
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79576804) is 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile is COc1cc(C)ccc1OCCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is JDEAYFAJQMWOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-6-14(15(10-12)19-2)20-9-7-13-4-3-8-16(13,18)11-17/h5-6,10,13H,3-4,7-9,18H2,1-2H3.
What are the key properties of 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 274.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).