4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C17H26FNO2 — CID 65116509

IUPAC4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H26FNO2/c1-3-13-6-8-17(20,9-7-13)12-19-11-14-4-5-16(21-2)15(18)10-14/h4-5,10,13,19-20H,3,6-9,11-12H2,1-2H3
InChIKeyZPLAAFAIMQCCCG-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.26
Rot. Bonds6

About 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65116509) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65116509
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2ccc(OC)c(F)c2)CC1
InChIInChI=1S/C17H26FNO2/c1-3-13-6-8-17(20,9-7-13)12-19-11-14-4-5-16(21-2)15(18)10-14/h4-5,10,13,19-20H,3,6-9,11-12H2,1-2H3
InChIKeyZPLAAFAIMQCCCG-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928791
4-ethyl-1-[[(3,4,5-trifluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 65115940
1-[[(3-bromo-4-fluorophenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116216
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 65116363
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 55260820
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 65116509) is 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCc2ccc(OC)c(F)c2)CC1.
What is the InChIKey of 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ZPLAAFAIMQCCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-3-13-6-8-17(20,9-7-13)12-19-11-14-4-5-16(21-2)15(18)10-14/h4-5,10,13,19-20H,3,6-9,11-12H2,1-2H3.
What are the key properties of 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).