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

C15H23NOS — CID 103699915

IUPAC3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCSc1ccc(CNCC2CCCC(O)C2)cc1
InChIInChI=1S/C15H23NOS/c1-18-15-7-5-12(6-8-15)10-16-11-13-3-2-4-14(17)9-13/h5-8,13-14,16-17H,2-4,9-11H2,1H3
InChIKeyTWGXIAZAQYOWIK-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.05
Rot. Bonds5

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

3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699915) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699915
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCSc1ccc(CNCC2CCCC(O)C2)cc1
InChIInChI=1S/C15H23NOS/c1-18-15-7-5-12(6-8-15)10-16-11-13-3-2-4-14(17)9-13/h5-8,13-14,16-17H,2-4,9-11H2,1H3
InChIKeyTWGXIAZAQYOWIK-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
3-[[[4-(trifluoromethylsulfanyl)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 103270930
4-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532484
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699915) is 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol is CSc1ccc(CNCC2CCCC(O)C2)cc1.
What is the InChIKey of 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is TWGXIAZAQYOWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-15-7-5-12(6-8-15)10-16-11-13-3-2-4-14(17)9-13/h5-8,13-14,16-17H,2-4,9-11H2,1H3.
What are the key properties of 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).