[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine

C15H23NOS — CID 117418161

IUPAC[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)cc1SC
InChIInChI=1S/C15H23NOS/c1-17-13-7-6-12(10-14(13)18-2)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11,16H2,1-2H3
InChIKeyUWMTWRPWFCRBMN-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.58
Rot. Bonds4

About [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine

[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine (PubChem CID 117418161) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
PubChem CID117418161
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCOc1ccc(C2(CN)CCCCC2)cc1SC
InChIInChI=1S/C15H23NOS/c1-17-13-7-6-12(10-14(13)18-2)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11,16H2,1-2H3
InChIKeyUWMTWRPWFCRBMN-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(3-bromo-4-methylsulfanylphenyl)cyclobutyl]methanamine
CID 117461520
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401
[1-(4-ethoxy-3-fluorophenyl)cyclohexyl]methanamine
CID 82499353

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine (CID 117418161) is [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine is COc1ccc(C2(CN)CCCCC2)cc1SC.
What is the InChIKey of [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine?
The InChIKey is UWMTWRPWFCRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-17-13-7-6-12(10-14(13)18-2)15(11-16)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine?
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117418161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).