2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine

C11H17NOS — CID 117032557

IUPAC2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
SMILESCNCCSc1ccc(OC)c(C)c1
InChIInChI=1S/C11H17NOS/c1-9-8-10(14-7-6-12-2)4-5-11(9)13-3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCDYIMQONXCJFBR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.32
Rot. Bonds5

About 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine

2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine (PubChem CID 117032557) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
PubChem CID117032557
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine
SMILESCNCCSc1ccc(OC)c(C)c1
InChIInChI=1S/C11H17NOS/c1-9-8-10(14-7-6-12-2)4-5-11(9)13-3/h4-5,8,12H,6-7H2,1-3H3
InChIKeyCDYIMQONXCJFBR-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[2-(methylamino)ethylsulfanyl]aniline
CID 79148202
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methoxyethanamine
CID 60719628
4-(2,2-dimethylpropylsulfanyl)-1-methoxy-2-methylbenzene
CID 170743959
2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035507
4-methoxy-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 2198100
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-methoxybenzenesulfonamide
CID 31392089
N-[(4-methoxy-3-methylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032941
1-methoxy-2-methyl-4-(methyldisulfanyl)benzene
CID 58500296
1,2-dimethyl-4-(2-phenylsulfanylethylsulfanyl)benzene
CID 79326651
3-(4-methoxy-3-methylphenyl)sulfanyl-2,2-dimethylpropan-1-amine
CID 117032776
1,2-dimethyl-4-propylsulfanylbenzene
CID 130694880

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine?
The IUPAC name of 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine (CID 117032557) is 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine.
What is the SMILES notation for 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine?
The canonical SMILES for 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine is CNCCSc1ccc(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine?
The InChIKey is CDYIMQONXCJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-8-10(14-7-6-12-2)4-5-11(9)13-3/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine?
2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methylphenyl)sulfanyl-N-methylethanamine is sourced from PubChem (CID 117032557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).