6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol

C17H26FNO — CID 79835551

IUPAC6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol
SMILESCC(c1ccccc1F)N(C)C1CCCC(C)(C)C1O
InChIInChI=1S/C17H26FNO/c1-12(13-8-5-6-9-14(13)18)19(4)15-10-7-11-17(2,3)16(15)20/h5-6,8-9,12,15-16,20H,7,10-11H2,1-4H3
InChIKeyQJBVZQYAJDEYHH-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.76
Rot. Bonds3

About 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol

6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79835551) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol
PubChem CID79835551
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol
SMILESCC(c1ccccc1F)N(C)C1CCCC(C)(C)C1O
InChIInChI=1S/C17H26FNO/c1-12(13-8-5-6-9-14(13)18)19(4)15-10-7-11-17(2,3)16(15)20/h5-6,8-9,12,15-16,20H,7,10-11H2,1-4H3
InChIKeyQJBVZQYAJDEYHH-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol (CID 79835551) is 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol is CC(c1ccccc1F)N(C)C1CCCC(C)(C)C1O.
What is the InChIKey of 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is QJBVZQYAJDEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12(13-8-5-6-9-14(13)18)19(4)15-10-7-11-17(2,3)16(15)20/h5-6,8-9,12,15-16,20H,7,10-11H2,1-4H3.
What are the key properties of 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol?
6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79835551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).