2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile

C15H20N2O — CID 62742075

IUPAC2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
SMILESCc1cccc(OCCNC2CCCC2C#N)c1
InChIInChI=1S/C15H20N2O/c1-12-4-2-6-14(10-12)18-9-8-17-15-7-3-5-13(15)11-16/h2,4,6,10,13,15,17H,3,5,7-9H2,1H3
InChIKeyRSYUYUBBJOYLRN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.66
Rot. Bonds5

About 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile

2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 62742075) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
PubChem CID62742075
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
SMILESCc1cccc(OCCNC2CCCC2C#N)c1
InChIInChI=1S/C15H20N2O/c1-12-4-2-6-14(10-12)18-9-8-17-15-7-3-5-13(15)11-16/h2,4,6,10,13,15,17H,3,5,7-9H2,1H3
InChIKeyRSYUYUBBJOYLRN-UHFFFAOYSA-N
XLogP2.66
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methylphenoxy)ethylamino]cyclohexane-1-carbonitrile
CID 62741177
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
CID 106662415
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951726
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
N-[2-(3-bromophenoxy)ethyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179259
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
N-[2-(3-methylphenoxy)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841620
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile (CID 62742075) is 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile is Cc1cccc(OCCNC2CCCC2C#N)c1.
What is the InChIKey of 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is RSYUYUBBJOYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-4-2-6-14(10-12)18-9-8-17-15-7-3-5-13(15)11-16/h2,4,6,10,13,15,17H,3,5,7-9H2,1H3.
What are the key properties of 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile?
2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).