3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C16H21FN2O — CID 79650689

IUPAC3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCc1ccc(F)c(OC2CCC(C#N)(NC(C)C)C2)c1
InChIInChI=1S/C16H21FN2O/c1-11(2)19-16(10-18)7-6-13(9-16)20-15-8-12(3)4-5-14(15)17/h4-5,8,11,13,19H,6-7,9H2,1-3H3
InChIKeyYEFIOTKUHYUHDQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.33
Rot. Bonds4

About 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79650689) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79650689
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCc1ccc(F)c(OC2CCC(C#N)(NC(C)C)C2)c1
InChIInChI=1S/C16H21FN2O/c1-11(2)19-16(10-18)7-6-13(9-16)20-15-8-12(3)4-5-14(15)17/h4-5,8,11,13,19H,6-7,9H2,1-3H3
InChIKeyYEFIOTKUHYUHDQ-UHFFFAOYSA-N
XLogP3.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650522
1-(ethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)cyclopentane-1-carbonitrile
CID 79644347
1-(cyclopropylamino)-3-(2,5-difluorophenoxy)cyclopentane-1-carbonitrile
CID 79649659
3-(3,4-dimethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650437
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
3-(4-ethylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79650276
3-[4-(hydroxymethyl)phenoxy]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79649732
9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
3-(4-nitrophenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79644592
methyl 3-(2-fluoro-5-methylphenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79653657
1-(cyclopropylamino)-3-(2-fluoro-3-methylphenoxy)cyclopentane-1-carbonitrile
CID 107660360
1-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carbonitrile
CID 79650050

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79650689) is 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is Cc1ccc(F)c(OC2CCC(C#N)(NC(C)C)C2)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is YEFIOTKUHYUHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-11(2)19-16(10-18)7-6-13(9-16)20-15-8-12(3)4-5-14(15)17/h4-5,8,11,13,19H,6-7,9H2,1-3H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 276.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79650689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).