[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol

C14H20FNO — CID 103564791

IUPAC[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol
SMILESCC(C)C1CC(CO)(Nc2ccccc2F)C1
InChIInChI=1S/C14H20FNO/c1-10(2)11-7-14(8-11,9-17)16-13-6-4-3-5-12(13)15/h3-6,10-11,16-17H,7-9H2,1-2H3
InChIKeyVSYOTCHSHHMULU-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.03
Rot. Bonds4

About [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol

[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol (PubChem CID 103564791) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol
PubChem CID103564791
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol
SMILESCC(C)C1CC(CO)(Nc2ccccc2F)C1
InChIInChI=1S/C14H20FNO/c1-10(2)11-7-14(8-11,9-17)16-13-6-4-3-5-12(13)15/h3-6,10-11,16-17H,7-9H2,1-2H3
InChIKeyVSYOTCHSHHMULU-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
CID 79950058
[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
CID 61049933
[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
CID 107450317
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
[3-(2-fluoroanilino)-2-methyloxolan-3-yl]methanol
CID 82717698
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563434
(1-anilino-4-propan-2-ylcycloheptyl)methanol
CID 65090420
3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylic acid
CID 106822653
[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61047647
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol?
The IUPAC name of [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol (CID 103564791) is [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol.
What is the SMILES notation for [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol?
The canonical SMILES for [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol is CC(C)C1CC(CO)(Nc2ccccc2F)C1.
What is the InChIKey of [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol?
The InChIKey is VSYOTCHSHHMULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)11-7-14(8-11,9-17)16-13-6-4-3-5-12(13)15/h3-6,10-11,16-17H,7-9H2,1-2H3.
What are the key properties of [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol?
[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol has a molecular weight of 237.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol is sourced from PubChem (CID 103564791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).