3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile

C16H22N2O — CID 79649725

IUPAC3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H22N2O/c1-4-18-16(11-17)6-5-14(10-16)19-15-8-12(2)7-13(3)9-15/h7-9,14,18H,4-6,10H2,1-3H3
InChIKeyYEPQUWKYLMSRBL-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.11
Rot. Bonds4

About 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile

3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile (PubChem CID 79649725) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
PubChem CID79649725
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H22N2O/c1-4-18-16(11-17)6-5-14(10-16)19-15-8-12(2)7-13(3)9-15/h7-9,14,18H,4-6,10H2,1-3H3
InChIKeyYEPQUWKYLMSRBL-UHFFFAOYSA-N
XLogP3.11
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644348
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644347
3-(3-bromo-5-nitrophenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 103589345
1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
CID 107314628
1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
CID 79644351
1-(ethylamino)-3-[2-(trifluoromethyl)phenoxy]cyclopentane-1-carbonitrile
CID 79638685
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79648842
1-(ethylamino)-3-(4-nitrophenoxy)cyclohexane-1-carbonitrile
CID 79628804
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
CID 79639805
3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79650115
3-(3,4-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650437

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile (CID 79649725) is 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2cc(C)cc(C)c2)C1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
The InChIKey is YEPQUWKYLMSRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-18-16(11-17)6-5-14(10-16)19-15-8-12(2)7-13(3)9-15/h7-9,14,18H,4-6,10H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile?
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile has a molecular weight of 258.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79649725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).