4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine

C15H23NOS — CID 117033246

IUPAC4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Sc2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C15H23NOS/c1-11-10-14(8-9-15(11)17-3)18-13-6-4-12(16-2)5-7-13/h8-10,12-13,16H,4-7H2,1-3H3
InChIKeyOVQFVMRFFXKTAF-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.63
Rot. Bonds4

About 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine

4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine (PubChem CID 117033246) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine
PubChem CID117033246
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Sc2ccc(OC)c(C)c2)CC1
InChIInChI=1S/C15H23NOS/c1-11-10-14(8-9-15(11)17-3)18-13-6-4-12(16-2)5-7-13/h8-10,12-13,16H,4-7H2,1-3H3
InChIKeyOVQFVMRFFXKTAF-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
3-(4-methoxy-3-methylphenyl)sulfanylcyclobutan-1-amine
CID 117033278
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
2-bromo-4-cyclohexylsulfanyl-1-methoxybenzene
CID 170743979
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
CID 117032557
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296
4-(2-methoxy-4,5-dimethylphenyl)-N-methylcyclohexan-1-amine
CID 116962660
N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine
CID 63814537
S-(4-methoxy-3-methylphenyl) methanethioate
CID 117033657
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine (CID 117033246) is 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine is CNC1CCC(Sc2ccc(OC)c(C)c2)CC1.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine?
The InChIKey is OVQFVMRFFXKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-10-14(8-9-15(11)17-3)18-13-6-4-12(16-2)5-7-13/h8-10,12-13,16H,4-7H2,1-3H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine?
4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)sulfanyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 117033246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).