1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol

C17H25F2NO3 — CID 110905199

IUPAC1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(C(C)NCC2(O)CCCCC2)ccc1OC(F)F
InChIInChI=1S/C17H25F2NO3/c1-12(20-11-17(21)8-4-3-5-9-17)13-6-7-14(23-16(18)19)15(10-13)22-2/h6-7,10,12,16,20-21H,3-5,8-9,11H2,1-2H3
InChIKeyOKRSGVRMWQFHRI-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.64
Rot. Bonds7

About 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol

1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol (PubChem CID 110905199) has the molecular formula C17H25F2NO3 and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
PubChem CID110905199
Molecular FormulaC17H25F2NO3
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(C(C)NCC2(O)CCCCC2)ccc1OC(F)F
InChIInChI=1S/C17H25F2NO3/c1-12(20-11-17(21)8-4-3-5-9-17)13-6-7-14(23-16(18)19)15(10-13)22-2/h6-7,10,12,16,20-21H,3-5,8-9,11H2,1-2H3
InChIKeyOKRSGVRMWQFHRI-UHFFFAOYSA-N
XLogP3.64
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365
1-[[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208254
1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 111121649
1-[[1-(3-bromo-4-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105321
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol (CID 110905199) is 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol is COc1cc(C(C)NCC2(O)CCCCC2)ccc1OC(F)F.
What is the InChIKey of 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is OKRSGVRMWQFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO3/c1-12(20-11-17(21)8-4-3-5-9-17)13-6-7-14(23-16(18)19)15(10-13)22-2/h6-7,10,12,16,20-21H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol?
1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 329.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110905199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).