1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile

C18H26N2O — CID 79644348

IUPAC1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C18H26N2O/c1-5-20-18(12-19)9-8-16(11-18)21-15-6-7-17(13(2)3)14(4)10-15/h6-7,10,13,16,20H,5,8-9,11H2,1-4H3
InChIKeyFDTYYLJWBTZWOC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds5

About 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile

1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile (PubChem CID 79644348) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
PubChem CID79644348
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
SMILESCCNC1(C#N)CCC(Oc2ccc(C(C)C)c(C)c2)C1
InChIInChI=1S/C18H26N2O/c1-5-20-18(12-19)9-8-16(11-18)21-15-6-7-17(13(2)3)14(4)10-15/h6-7,10,13,16,20H,5,8-9,11H2,1-4H3
InChIKeyFDTYYLJWBTZWOC-UHFFFAOYSA-N
XLogP3.92
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644347
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79649725
3-(3,4-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650437
1-(ethylamino)-3-quinolin-7-yloxycyclopentane-1-carbonitrile
CID 107314628
3-(4-ethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650276
3-(3,4-difluorophenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650522
1-(ethylamino)-3-naphthalen-1-yloxycyclopentane-1-carbonitrile
CID 79644351
1-(ethylamino)-3-(4-nitrophenoxy)cyclohexane-1-carbonitrile
CID 79628804
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
CID 79647720
3-(3-bromo-5-nitrophenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 103589345
3-(4-ethylphenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79650115

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile (CID 79644348) is 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile is CCNC1(C#N)CCC(Oc2ccc(C(C)C)c(C)c2)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
The InChIKey is FDTYYLJWBTZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-20-18(12-19)9-8-16(11-18)21-15-6-7-17(13(2)3)14(4)10-15/h6-7,10,13,16,20H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile?
1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79644348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).