1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

C18H23NO2S — CID 15808336

IUPAC1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOc1ccc(C(C)NCCSc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2S/c1-14(15-9-10-17(20-2)18(13-15)21-3)19-11-12-22-16-7-5-4-6-8-16/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyHIPBJAWWPUTHNW-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.15
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 15808336) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID15808336
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOc1ccc(C(C)NCCSc2ccccc2)cc1OC
InChIInChI=1S/C18H23NO2S/c1-14(15-9-10-17(20-2)18(13-15)21-3)19-11-12-22-16-7-5-4-6-8-16/h4-10,13-14,19H,11-12H2,1-3H3
InChIKeyHIPBJAWWPUTHNW-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352
3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methylsulfanylpentan-1-amine
CID 104926310
N'-[1-(3,4-dimethoxyphenyl)ethyl]propane-1,3-diamine
CID 60890070
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylethanamine
CID 15326859
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534
N-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634707

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine (CID 15808336) is 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine is COc1ccc(C(C)NCCSc2ccccc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is HIPBJAWWPUTHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-14(15-9-10-17(20-2)18(13-15)21-3)19-11-12-22-16-7-5-4-6-8-16/h4-10,13-14,19H,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 317.45 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 15808336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).