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

C13H18FNO — CID 103564816

IUPAC[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
SMILESCc1cc(F)cc(NC2(CO)CC(C)C2)c1
InChIInChI=1S/C13H18FNO/c1-9-3-11(14)5-12(4-9)15-13(8-16)6-10(2)7-13/h3-5,10,15-16H,6-8H2,1-2H3
InChIKeyQKUQSGDRUQFYSF-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.71
Rot. Bonds3

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

[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol (PubChem CID 103564816) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
PubChem CID103564816
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
SMILESCc1cc(F)cc(NC2(CO)CC(C)C2)c1
InChIInChI=1S/C13H18FNO/c1-9-3-11(14)5-12(4-9)15-13(8-16)6-10(2)7-13/h3-5,10,15-16H,6-8H2,1-2H3
InChIKeyQKUQSGDRUQFYSF-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
CID 79050341
[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 79046102
[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049390
[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049855
[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
CID 79049543
1-(3-fluoro-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 79050444
1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 79049577
[4-methyl-1-(3-methyl-5-nitroanilino)cyclohexyl]methanol
CID 115981349
1-(3-fluoro-5-methylanilino)-2-methylcyclopentane-1-carboxylic acid
CID 79050443
2-(3-fluoro-5-methylanilino)-2-(4-methylcyclohexyl)ethanol
CID 79047274
[3-methyl-1-(methylamino)cyclobutyl]methanol;hydrochloride
CID 155895170
1-(3-fluoro-5-methylanilino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81304882

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol?
The IUPAC name of [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol (CID 103564816) is [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol.
What is the SMILES notation for [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol?
The canonical SMILES for [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol is Cc1cc(F)cc(NC2(CO)CC(C)C2)c1.
What is the InChIKey of [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol?
The InChIKey is QKUQSGDRUQFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-3-11(14)5-12(4-9)15-13(8-16)6-10(2)7-13/h3-5,10,15-16H,6-8H2,1-2H3.
What are the key properties of [1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol?
[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol has a molecular weight of 223.29 g/mol, XLogP of 2.71, 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)-3-methylcyclobutyl]methanol is sourced from PubChem (CID 103564816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).