4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol

C17H26FNO — CID 62609412

IUPAC4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-3-13-6-9-17(20)15(10-13)12-19(2)11-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,20H,3,6,9-12H2,1-2H3
InChIKeySUASZQJUBRATBY-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.44
Rot. Bonds5

About 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol

4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol (PubChem CID 62609412) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
PubChem CID62609412
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-3-13-6-9-17(20)15(10-13)12-19(2)11-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,20H,3,6,9-12H2,1-2H3
InChIKeySUASZQJUBRATBY-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-Norbornanol, 3-(benzylmethylaminomethyl)-
CID 98187
1-(1-Benzylpiperidin-4-yl)-2-phenylethanol;hydrochloride
CID 10088107
[1-(4-Fluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191979
1-(1-Benzylpiperidin-4-yl)-2-(4-fluorophenyl)ethanol;hydrate;hydrochloride
CID 45262157
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
[4-Benzyl-1-(2,3-difluorobenzyl)-4-piperidinyl]methanol
CID 16191556
[1-(2,5-Difluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16190999
cis-(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 54290606
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229
1-Methyl-3-pentyl-2,6-diphenylpiperidin-4-ol
CID 2729780
3-[Benzyl(methyl)amino]-1-(4-fluorophenyl)-1-phenylpropan-2-ol
CID 12549037
1,2,3,6-Tetrahydro-1-methyl-4-phenylpyridine-3-methanol
CID 3021101

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol (CID 62609412) is 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is SUASZQJUBRATBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-6-9-17(20)15(10-13)12-19(2)11-14-4-7-16(18)8-5-14/h4-5,7-8,13,15,17,20H,3,6,9-12H2,1-2H3.
What are the key properties of 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol?
4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).