(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

C17H21NOS — CID 81370951

IUPAC(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOc1ccc([C@H](C)NCCSc2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-14(15-8-10-16(19-2)11-9-15)18-12-13-20-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3/t14-/m0/s1
InChIKeyWKNSJBJPKQEPIK-AWEZNQCLSA-N
MW287.43 g/mol
LogP4.14
Rot. Bonds7

About (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine

(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 81370951) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID81370951
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
SMILESCOc1ccc([C@H](C)NCCSc2ccccc2)cc1
InChIInChI=1S/C17H21NOS/c1-14(15-8-10-16(19-2)11-9-15)18-12-13-20-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3/t14-/m0/s1
InChIKeyWKNSJBJPKQEPIK-AWEZNQCLSA-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

1-(3-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976496
1-(3,4-dimethoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 15808336
(1R)-N-(2-phenylsulfanylethyl)-1-pyridin-4-ylethanamine
CID 81409534
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 81370452
1-(6-methoxynaphthalen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63982854
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine (CID 81370951) is (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine is COc1ccc([C@H](C)NCCSc2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is WKNSJBJPKQEPIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21NOS/c1-14(15-8-10-16(19-2)11-9-15)18-12-13-20-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine?
(1S)-1-(4-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 (1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 81370951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).