[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol

C14H20FNO — CID 79049390

IUPAC[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
SMILESCc1cc(F)cc(NC2(CO)CCCCC2)c1
InChIInChI=1S/C14H20FNO/c1-11-7-12(15)9-13(8-11)16-14(10-17)5-3-2-4-6-14/h7-9,16-17H,2-6,10H2,1H3
InChIKeyWXMWMDMFOAERBW-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.24
Rot. Bonds3

About [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol

[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol (PubChem CID 79049390) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
PubChem CID79049390
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
SMILESCc1cc(F)cc(NC2(CO)CCCCC2)c1
InChIInChI=1S/C14H20FNO/c1-11-7-12(15)9-13(8-11)16-14(10-17)5-3-2-4-6-14/h7-9,16-17H,2-6,10H2,1H3
InChIKeyWXMWMDMFOAERBW-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
CID 103564816
[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
CID 79049543
[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049855
[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
CID 79050341
[1-(4-methylanilino)cycloheptyl]methanol
CID 61044779
[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 79046102
1-(3-fluoro-5-methylanilino)-2-methoxycyclohexane-1-carboxylic acid
CID 106873205
[1-(3-amino-5-methoxyanilino)cyclohexyl]methanol
CID 80739666
[1-[4-(trifluoromethyl)anilino]cyclohexyl]methanol
CID 62649108
[8-(4-methylanilino)spiro[4.5]decan-8-yl]methanol
CID 114819821
1-(3-fluoro-5-methylanilino)-2-methylcyclopentane-1-carboxylic acid
CID 79050443
[1-[(5-fluoropyrimidin-2-yl)amino]cyclopentyl]methanol
CID 115750249

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
The IUPAC name of [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol (CID 79049390) is [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol.
What is the SMILES notation for [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
The canonical SMILES for [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol is Cc1cc(F)cc(NC2(CO)CCCCC2)c1.
What is the InChIKey of [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
The InChIKey is WXMWMDMFOAERBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-11-7-12(15)9-13(8-11)16-14(10-17)5-3-2-4-6-14/h7-9,16-17H,2-6,10H2,1H3.
What are the key properties of [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol?
[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol has a molecular weight of 237.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-5-methylanilino)cyclohexyl]methanol is sourced from PubChem (CID 79049390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).