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

C16H25NOS — CID 63933300

IUPAC3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCSc1ccc(CNCC2(O)CCCC(C)C2)cc1
InChIInChI=1S/C16H25NOS/c1-13-4-3-9-16(18,10-13)12-17-11-14-5-7-15(19-2)8-6-14/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyWEGPYJFYOGVTHI-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.44
Rot. Bonds5

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

3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 63933300) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID63933300
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCSc1ccc(CNCC2(O)CCCC(C)C2)cc1
InChIInChI=1S/C16H25NOS/c1-13-4-3-9-16(18,10-13)12-17-11-14-5-7-15(19-2)8-6-14/h5-8,13,17-18H,3-4,9-12H2,1-2H3
InChIKeyWEGPYJFYOGVTHI-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63934756
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119
1-[[(3-chloro-4-methylphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 106816884
1-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932273
1-[(1H-indol-6-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 102911193
1-[[(3-bromo-5-fluorophenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 79709978
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 63933300) is 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol is CSc1ccc(CNCC2(O)CCCC(C)C2)cc1.
What is the InChIKey of 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is WEGPYJFYOGVTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-13-4-3-9-16(18,10-13)12-17-11-14-5-7-15(19-2)8-6-14/h5-8,13,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 63933300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).