[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine

C16H25NO2S — CID 117476236

IUPAC[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCOc1cc(C2(CN)CCCCC2)c(OC)cc1SC
InChIInChI=1S/C16H25NO2S/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(11-17)7-5-4-6-8-16/h9-10H,4-8,11,17H2,1-3H3
InChIKeyYFUXAGJNVZTDAQ-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.59
Rot. Bonds5

About [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine

[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine (PubChem CID 117476236) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
PubChem CID117476236
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
SMILESCOc1cc(C2(CN)CCCCC2)c(OC)cc1SC
InChIInChI=1S/C16H25NO2S/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(11-17)7-5-4-6-8-16/h9-10H,4-8,11,17H2,1-3H3
InChIKeyYFUXAGJNVZTDAQ-UHFFFAOYSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
CID 117408247
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine (CID 117476236) is [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine is COc1cc(C2(CN)CCCCC2)c(OC)cc1SC.
What is the InChIKey of [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine?
The InChIKey is YFUXAGJNVZTDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(11-17)7-5-4-6-8-16/h9-10H,4-8,11,17H2,1-3H3.
What are the key properties of [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine?
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine has a molecular weight of 295.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117476236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).