2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile

C16H21FN2 — CID 55234496

IUPAC2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
SMILESCCC(Nc1ccc(F)cc1C#N)C1CCCCC1
InChIInChI=1S/C16H21FN2/c1-2-15(12-6-4-3-5-7-12)19-16-9-8-14(17)10-13(16)11-18/h8-10,12,15,19H,2-7H2,1H3
InChIKeyYVULNUULQLUDHF-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.47
Rot. Bonds4

About 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile

2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile (PubChem CID 55234496) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
PubChem CID55234496
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
SMILESCCC(Nc1ccc(F)cc1C#N)C1CCCCC1
InChIInChI=1S/C16H21FN2/c1-2-15(12-6-4-3-5-7-12)19-16-9-8-14(17)10-13(16)11-18/h8-10,12,15,19H,2-7H2,1H3
InChIKeyYVULNUULQLUDHF-UHFFFAOYSA-N
XLogP4.47
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(1-cyclohexylpropylamino)benzonitrile
CID 114901777
3-amino-4-(1-cyclohexylpropylamino)benzonitrile
CID 62405724
3-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 102816195
2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile
CID 62405601
N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
5-fluoro-2-[1-(oxan-4-yl)ethylamino]benzonitrile
CID 103768392
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
5-fluoro-2-(1-hydroxypentan-3-ylamino)benzonitrile
CID 115657750
5-fluoro-2-(heptan-3-ylamino)benzonitrile
CID 82015181
2-[[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]amino]-5-fluorobenzonitrile
CID 97120520
2-[(2-amino-1-cyclopentylethyl)amino]-5-nitrobenzonitrile
CID 106738095
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile?
The IUPAC name of 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile (CID 55234496) is 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile is CCC(Nc1ccc(F)cc1C#N)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile?
The InChIKey is YVULNUULQLUDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-2-15(12-6-4-3-5-7-12)19-16-9-8-14(17)10-13(16)11-18/h8-10,12,15,19H,2-7H2,1H3.
What are the key properties of 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile?
2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile has a molecular weight of 260.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile is sourced from PubChem (CID 55234496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).