1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile

C15H20N2O — CID 28702701

IUPAC1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CCNC2(C#N)CCCC2)cc1
InChIInChI=1S/C15H20N2O/c1-18-14-6-4-13(5-7-14)8-11-17-15(12-16)9-2-3-10-15/h4-7,17H,2-3,8-11H2,1H3
InChIKeyPZUDMNGDPBATLZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile

1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 28702701) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID28702701
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CCNC2(C#N)CCCC2)cc1
InChIInChI=1S/C15H20N2O/c1-18-14-6-4-13(5-7-14)8-11-17-15(12-16)9-2-3-10-15/h4-7,17H,2-3,8-11H2,1H3
InChIKeyPZUDMNGDPBATLZ-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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
CID 28574147
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702708
4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile
CID 28702914
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
3-(4-methoxyphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628124
N-(2-methoxyethoxy)-2-(4-methoxyphenyl)ethanamine
CID 82722149
N-(1-cyanocyclopentyl)-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]acetamide
CID 95158339
1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile (CID 28702701) is 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile is COc1ccc(CCNC2(C#N)CCCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is PZUDMNGDPBATLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-14-6-4-13(5-7-14)8-11-17-15(12-16)9-2-3-10-15/h4-7,17H,2-3,8-11H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile?
1-[2-(4-methoxyphenyl)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 1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 28702701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).