2-[(4-methoxyphenyl)methylamino]ethanethiol

C10H15NOS — CID 14306201

IUPAC2-[(4-methoxyphenyl)methylamino]ethanethiol
SMILESCOc1ccc(CNCCS)cc1
InChIInChI=1S/C10H15NOS/c1-12-10-4-2-9(3-5-10)8-11-6-7-13/h2-5,11,13H,6-8H2,1H3
InChIKeyOSLUVZRAGRXLIS-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.71
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylamino]ethanethiol

2-[(4-methoxyphenyl)methylamino]ethanethiol (PubChem CID 14306201) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]ethanethiol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]ethanethiol
PubChem CID14306201
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[(4-methoxyphenyl)methylamino]ethanethiol
SMILESCOc1ccc(CNCCS)cc1
InChIInChI=1S/C10H15NOS/c1-12-10-4-2-9(3-5-10)8-11-6-7-13/h2-5,11,13H,6-8H2,1H3
InChIKeyOSLUVZRAGRXLIS-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658332
2-[(4-methylphenyl)methylamino]ethanethiol
CID 14306202
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 54807228
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]ethanethiol?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]ethanethiol (CID 14306201) is 2-[(4-methoxyphenyl)methylamino]ethanethiol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]ethanethiol?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]ethanethiol is COc1ccc(CNCCS)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]ethanethiol?
The InChIKey is OSLUVZRAGRXLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-12-10-4-2-9(3-5-10)8-11-6-7-13/h2-5,11,13H,6-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]ethanethiol?
2-[(4-methoxyphenyl)methylamino]ethanethiol has a molecular weight of 197.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]ethanethiol is sourced from PubChem (CID 14306201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).