1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

C17H21NOS — CID 60976496

IUPAC1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOc1cccc(C(C)NCCSc2ccccc2)c1
InChIInChI=1S/C17H21NOS/c1-14(15-7-6-8-16(13-15)19-2)18-11-12-20-17-9-4-3-5-10-17/h3-10,13-14,18H,11-12H2,1-2H3
InChIKeyGQINPWORVHRMMB-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 60976496) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID60976496
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOc1cccc(C(C)NCCSc2ccccc2)c1
InChIInChI=1S/C17H21NOS/c1-14(15-7-6-8-16(13-15)19-2)18-11-12-20-17-9-4-3-5-10-17/h3-10,13-14,18H,11-12H2,1-2H3
InChIKeyGQINPWORVHRMMB-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.14
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

(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 15808336
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
1-(3-nitrophenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60682075

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine (CID 60976496) is 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine is COc1cccc(C(C)NCCSc2ccccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is GQINPWORVHRMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-14(15-7-6-8-16(13-15)19-2)18-11-12-20-17-9-4-3-5-10-17/h3-10,13-14,18H,11-12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 60976496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).