1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile

C15H19FN2O — CID 106872940

IUPAC1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile
SMILESCOC1CCCCC1(C#N)Nc1cc(C)cc(F)c1
InChIInChI=1S/C15H19FN2O/c1-11-7-12(16)9-13(8-11)18-15(10-17)6-4-3-5-14(15)19-2/h7-9,14,18H,3-6H2,1-2H3
InChIKeyABCYEDVWCHESKX-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile

1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile (PubChem CID 106872940) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile
PubChem CID106872940
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile
SMILESCOC1CCCCC1(C#N)Nc1cc(C)cc(F)c1
InChIInChI=1S/C15H19FN2O/c1-11-7-12(16)9-13(8-11)18-15(10-17)6-4-3-5-14(15)19-2/h7-9,14,18H,3-6H2,1-2H3
InChIKeyABCYEDVWCHESKX-UHFFFAOYSA-N
XLogP3.40
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carboxylic acid
CID 106873205
1-(2-bromoanilino)-2-methoxycyclohexane-1-carbonitrile
CID 106872842
2-methoxy-1-(methylamino)cyclohexane-1-carbonitrile
CID 106872820
1-(3-fluoro-5-methylanilino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79054563
1-(3-fluoro-5-methylanilino)-4-propan-2-ylcycloheptane-1-carbonitrile
CID 79041214
3-(3-fluoro-5-methylanilino)azetidine-3-carbonitrile
CID 79307146
3-cyclopropyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxylic acid
CID 79044460
[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049390
2-ethyl-1-(3-fluoro-5-methylanilino)cyclohexane-1-carboxamide
CID 79055143
methyl 4-(3-fluoro-5-methylanilino)oxepane-4-carboxylate
CID 79050361
methyl 3-(3-fluoro-5-methylanilino)oxane-3-carboxylate
CID 79050284
1-(3-fluoro-5-methylanilino)-2-methylcyclopentane-1-carboxylic acid
CID 79050443

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile?
The IUPAC name of 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile (CID 106872940) is 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile?
The canonical SMILES for 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile is COC1CCCCC1(C#N)Nc1cc(C)cc(F)c1.
What is the InChIKey of 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile?
The InChIKey is ABCYEDVWCHESKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11-7-12(16)9-13(8-11)18-15(10-17)6-4-3-5-14(15)19-2/h7-9,14,18H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile?
1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile has a molecular weight of 262.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carbonitrile is sourced from PubChem (CID 106872940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).