2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile

C14H17FN2O — CID 63828077

IUPAC2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCCOC1CCCC1
InChIInChI=1S/C14H17FN2O/c15-12-5-6-14(11(9-12)10-16)17-7-8-18-13-3-1-2-4-13/h5-6,9,13,17H,1-4,7-8H2
InChIKeyFNCAQRQMVSKHOW-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile

2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile (PubChem CID 63828077) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile
PubChem CID63828077
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NCCOC1CCCC1
InChIInChI=1S/C14H17FN2O/c15-12-5-6-14(11(9-12)10-16)17-7-8-18-13-3-1-2-4-13/h5-6,9,13,17H,1-4,7-8H2
InChIKeyFNCAQRQMVSKHOW-UHFFFAOYSA-N
XLogP3.07
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.07
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

5-fluoro-2-(2-piperidin-4-yloxyethylamino)benzonitrile
CID 63869672
5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile
CID 133286015
5-fluoro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzonitrile
CID 63827205
5-fluoro-2-(2-phenoxyethylamino)benzonitrile
CID 63674810
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
5-fluoro-2-(oxan-2-ylmethylamino)benzonitrile
CID 63674808
2-[2-(2-cyano-4-fluoroanilino)ethoxy]acetamide
CID 106236966
5-fluoro-2-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 63672584
5-fluoro-2-(2-methylsulfinylethylamino)benzonitrile
CID 115657623
5-fluoro-2-(2-phenylethylamino)benzonitrile
CID 63672929
2-[3-(dimethylamino)propylamino]-5-fluorobenzonitrile
CID 63673438
7-(2-cyano-4-fluoroanilino)heptanoic acid
CID 63663443

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile?
The IUPAC name of 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile (CID 63828077) is 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NCCOC1CCCC1.
What is the InChIKey of 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile?
The InChIKey is FNCAQRQMVSKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-5-6-14(11(9-12)10-16)17-7-8-18-13-3-1-2-4-13/h5-6,9,13,17H,1-4,7-8H2.
What are the key properties of 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile?
2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile has a molecular weight of 248.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyethylamino)-5-fluorobenzonitrile is sourced from PubChem (CID 63828077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).