4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol

C17H26FNO — CID 63489076

IUPAC4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC)c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-3-13-5-10-17(20)14(11-13)12-19(4-2)16-8-6-15(18)7-9-16/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3
InChIKeyJWPNKAKBLNBFCR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.84
Rot. Bonds5

About 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol

4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol (PubChem CID 63489076) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol
PubChem CID63489076
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(CC)c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FNO/c1-3-13-5-10-17(20)14(11-13)12-19(4-2)16-8-6-15(18)7-9-16/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3
InChIKeyJWPNKAKBLNBFCR-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-fluoro-7-(methyl(phenyl)amino)-3-phenylheptan-1-ol
CID 138375690
Diphenyl-4-piperidol
CID 58956930
trans-4-{[4-(4-Fluorophenyl)-1-piperazinyl]methyl}cyclohexanol
CID 29255210
2-[[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclohexan-1-ol
CID 3051833
1-[4-[(4-Fluorophenyl)methyl]phenyl]piperidin-4-ol
CID 17765478
N-(4-fluorophenyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-amine
CID 66579728
3-(2-Fluorophenyl)-3-(methyl(phenyl)amino)propane-1,2-diol
CID 68800110
10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol
CID 68907707
[2-Ethyl-1-(2-fluorophenyl)piperidin-4-yl]methanol
CID 69020500
1-(4-Fluorophenyl)-3,5-dimethylpiperidin-4-ol
CID 69130544
[1,2-Bis(4-fluorophenyl)piperidin-4-yl]methanol
CID 70282501
1-[1-(4-Fluorophenyl)piperidin-4-yl]ethanol
CID 70284016

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol (CID 63489076) is 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN(CC)c2ccc(F)cc2)C1.
What is the InChIKey of 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol?
The InChIKey is JWPNKAKBLNBFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-5-10-17(20)14(11-13)12-19(4-2)16-8-6-15(18)7-9-16/h6-9,13-14,17,20H,3-5,10-12H2,1-2H3.
What are the key properties of 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol?
4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(N-ethyl-4-fluoroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).