[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol

C16H24FNO — CID 61049933

IUPAC[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(Nc2ccccc2F)C1
InChIInChI=1S/C16H24FNO/c1-12-8-15(2,3)10-16(9-12,11-19)18-14-7-5-4-6-13(14)17/h4-7,12,18-19H,8-11H2,1-3H3
InChIKeyZLQOSPKKXBXZID-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.81
Rot. Bonds3

About [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol

[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol (PubChem CID 61049933) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
PubChem CID61049933
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(Nc2ccccc2F)C1
InChIInChI=1S/C16H24FNO/c1-12-8-15(2,3)10-16(9-12,11-19)18-14-7-5-4-6-13(14)17/h4-7,12,18-19H,8-11H2,1-3H3
InChIKeyZLQOSPKKXBXZID-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-fluoroanilino)-3-propan-2-ylcyclobutyl]methanol
CID 103564791
[3-(2-fluoroanilino)-5-methylthiolan-3-yl]methanol
CID 79950058
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735169
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703
3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
[1-(cyclopentylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61055766
[3-(2-fluoroanilino)-2-methyloxolan-3-yl]methanol
CID 82717698
3,3,5-trimethyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
CID 142641903
N-(furan-2-ylmethyl)-2-[[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]acetamide
CID 96567193
3-[[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 111440274
[1-(2-fluoro-4-nitroanilino)-4-methylcyclohexyl]methanol
CID 62526018

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol?
The IUPAC name of [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol (CID 61049933) is [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol?
The canonical SMILES for [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol is CC1CC(C)(C)CC(CO)(Nc2ccccc2F)C1.
What is the InChIKey of [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol?
The InChIKey is ZLQOSPKKXBXZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12-8-15(2,3)10-16(9-12,11-19)18-14-7-5-4-6-13(14)17/h4-7,12,18-19H,8-11H2,1-3H3.
What are the key properties of [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol?
[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol has a molecular weight of 265.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol is sourced from PubChem (CID 61049933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).