4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol

C14H19F2NO — CID 117391230

IUPAC4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
SMILESCc1cc(C2(N)CCCCC2)cc(C(F)F)c1O
InChIInChI=1S/C14H19F2NO/c1-9-7-10(8-11(12(9)18)13(15)16)14(17)5-3-2-4-6-14/h7-8,13,18H,2-6,17H2,1H3
InChIKeyQNZJSKNXYLOTFF-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.76
Rot. Bonds2

About 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol

4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol (PubChem CID 117391230) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
PubChem CID117391230
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
SMILESCc1cc(C2(N)CCCCC2)cc(C(F)F)c1O
InChIInChI=1S/C14H19F2NO/c1-9-7-10(8-11(12(9)18)13(15)16)14(17)5-3-2-4-6-14/h7-8,13,18H,2-6,17H2,1H3
InChIKeyQNZJSKNXYLOTFF-UHFFFAOYSA-N
XLogP3.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-[3-(difluoromethyl)-4-hydroxy-5-methylphenyl]cyclohexane-1-carboxylic acid
CID 117457683
5-(1-aminocyclohexyl)-2-hydroxy-3-methylbenzonitrile
CID 117332825
1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
4-(1-aminocyclohexyl)-2-(1-fluoroethyl)phenol
CID 117347337
4-(1-aminocyclopentyl)-2,6-dimethylaniline
CID 84778060
4-(1-aminocyclopentyl)-2-[(dimethylamino)methyl]-6-methylphenol
CID 117374646
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117408749
2-(difluoromethyl)-6-methylbenzene-1,4-diol
CID 84654821
4-(1-aminoethyl)-2-(difluoromethyl)-6-methylphenol
CID 84669987
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol?
The IUPAC name of 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol (CID 117391230) is 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol.
What is the SMILES notation for 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol?
The canonical SMILES for 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol is Cc1cc(C2(N)CCCCC2)cc(C(F)F)c1O.
What is the InChIKey of 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol?
The InChIKey is QNZJSKNXYLOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-7-10(8-11(12(9)18)13(15)16)14(17)5-3-2-4-6-14/h7-8,13,18H,2-6,17H2,1H3.
What are the key properties of 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol?
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol has a molecular weight of 255.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol is sourced from PubChem (CID 117391230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).