1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine

C15H25NO2S — CID 64626669

IUPAC1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)SCCCOC
InChIInChI=1S/C15H25NO2S/c1-12(19-11-5-10-17-3)15(16-2)13-6-8-14(18-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyCWXLPMRVFCZUPJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.11
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine

1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine (PubChem CID 64626669) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
PubChem CID64626669
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
SMILESCNC(c1ccc(OC)cc1)C(C)SCCCOC
InChIInChI=1S/C15H25NO2S/c1-12(19-11-5-10-17-3)15(16-2)13-6-8-14(18-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3
InChIKeyCWXLPMRVFCZUPJ-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-(3-methylbutylsulfanyl)propan-1-amine
CID 107763976
1-(4-methoxyphenyl)-2-N-(3-methoxypropyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62985686
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
N-ethyl-1-(4-methoxyphenyl)-2-propylsulfanylpropan-1-amine
CID 64614912
2,2-dimethoxy-1-(4-methoxyphenyl)-N-methylethanamine
CID 79492759
3-[1-(methylamino)-1-(4-methylphenyl)propan-2-yl]sulfanylpropan-1-ol
CID 66126858
1-(4-methoxyphenyl)-N-methyl-2-phenylsulfanylpropan-1-amine
CID 64620958
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
N-ethyl-1-(4-methoxyphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64657838
1-(4-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 82984124
1-(4-ethylphenyl)-2-(3-methoxypropylsulfanyl)propan-1-amine
CID 64626253

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine (CID 64626669) is 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine is CNC(c1ccc(OC)cc1)C(C)SCCCOC.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
The InChIKey is CWXLPMRVFCZUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(19-11-5-10-17-3)15(16-2)13-6-8-14(18-4)9-7-13/h6-9,12,15-16H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine?
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine is sourced from PubChem (CID 64626669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).