1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine

C14H23NO2S — CID 64626660

IUPAC1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
SMILESCNC(CSCCCOC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2S/c1-15-14(11-18-10-4-9-16-2)12-5-7-13(17-3)8-6-12/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeySVEWWAJMJISCRP-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.73
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine

1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine (PubChem CID 64626660) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
PubChem CID64626660
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
SMILESCNC(CSCCCOC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO2S/c1-15-14(11-18-10-4-9-16-2)12-5-7-13(17-3)8-6-12/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeySVEWWAJMJISCRP-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.73
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)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613252
1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
N-ethyl-2-(3-methoxypropylsulfanyl)-1-naphthalen-2-ylethanamine
CID 64626467
2-[(2-chlorophenyl)methylsulfanyl]-1-(4-methoxyphenyl)-N-methylethanamine
CID 103290948
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
1-(4-ethylphenyl)-N-methyl-2-pentylsulfanylethanamine
CID 107763142

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine (CID 64626660) is 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine is CNC(CSCCCOC)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine?
The InChIKey is SVEWWAJMJISCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-15-14(11-18-10-4-9-16-2)12-5-7-13(17-3)8-6-12/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine?
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.73, 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-methylethanamine is sourced from PubChem (CID 64626660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).