[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol

C15H20F3NO2 — CID 64754690

IUPAC[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1ccccc1NC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO2/c1-21-13-5-3-2-4-12(13)19-14(10-20)8-6-11(7-9-14)15(16,17)18/h2-5,11,19-20H,6-10H2,1H3
InChIKeyMHZGIWFJEGBQAR-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.59
Rot. Bonds4

About [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol

[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64754690) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64754690
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1ccccc1NC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO2/c1-21-13-5-3-2-4-12(13)19-14(10-20)8-6-11(7-9-14)15(16,17)18/h2-5,11,19-20H,6-10H2,1H3
InChIKeyMHZGIWFJEGBQAR-UHFFFAOYSA-N
XLogP3.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
CID 62975143
[3-(2-methoxyanilino)-1,1-dioxothiolan-3-yl]methanol
CID 63166531
[1-(benzylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754496
[1-(2-amino-3-methoxyanilino)cyclohexyl]methanol
CID 113392651
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
2-cyclopropyl-2-(2-methoxyanilino)butan-1-ol
CID 64919153
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
[1-(2-bromoanilino)-4-propylcycloheptyl]methanol
CID 65090775

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol (CID 64754690) is [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol is COc1ccccc1NC1(CO)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is MHZGIWFJEGBQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-21-13-5-3-2-4-12(13)19-14(10-20)8-6-11(7-9-14)15(16,17)18/h2-5,11,19-20H,6-10H2,1H3.
What are the key properties of [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol?
[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 303.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64754690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).