1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol

C16H25NO2S — CID 110922677

IUPAC1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(CNCC2(O)CCCCC2)ccc1SC
InChIInChI=1S/C16H25NO2S/c1-19-14-10-13(6-7-15(14)20-2)11-17-12-16(18)8-4-3-5-9-16/h6-7,10,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyHFVZMDSIKOEQSK-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.20
Rot. Bonds6

About 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol

1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 110922677) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID110922677
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1cc(CNCC2(O)CCCCC2)ccc1SC
InChIInChI=1S/C16H25NO2S/c1-19-14-10-13(6-7-15(14)20-2)11-17-12-16(18)8-4-3-5-9-16/h6-7,10,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyHFVZMDSIKOEQSK-UHFFFAOYSA-N
XLogP3.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
CID 115978586
4-[5-[[(1-hydroxycyclohexyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 56823435
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
(2R)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]propan-2-ol
CID 103884180
1-[[[4-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 26402035
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-3,3-dimethylbutan-2-ol
CID 111119108

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 110922677) is 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol is COc1cc(CNCC2(O)CCCCC2)ccc1SC.
What is the InChIKey of 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is HFVZMDSIKOEQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-19-14-10-13(6-7-15(14)20-2)11-17-12-16(18)8-4-3-5-9-16/h6-7,10,17-18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 295.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110922677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).