2-(3-methoxyphenyl)-2-phenylsulfanylethanamine

C15H17NOS — CID 55017885

IUPAC2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
SMILESCOc1cccc(C(CN)Sc2ccccc2)c1
InChIInChI=1S/C15H17NOS/c1-17-13-7-5-6-12(10-13)15(11-16)18-14-8-3-2-4-9-14/h2-10,15H,11,16H2,1H3
InChIKeyQNNMGSKQEFYKMD-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.49
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine

2-(3-methoxyphenyl)-2-phenylsulfanylethanamine (PubChem CID 55017885) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
PubChem CID55017885
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
SMILESCOc1cccc(C(CN)Sc2ccccc2)c1
InChIInChI=1S/C15H17NOS/c1-17-13-7-5-6-12(10-13)15(11-16)18-14-8-3-2-4-9-14/h2-10,15H,11,16H2,1H3
InChIKeyQNNMGSKQEFYKMD-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
CID 62804598
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(3-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 55017982
3-[2-amino-1-(3-methoxyphenyl)ethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62882150
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine (CID 55017885) is 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine is COc1cccc(C(CN)Sc2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine?
The InChIKey is QNNMGSKQEFYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-17-13-7-5-6-12(10-13)15(11-16)18-14-8-3-2-4-9-14/h2-10,15H,11,16H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine?
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 55017885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).