2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine

C15H17NOS — CID 55239501

IUPAC2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
SMILESCOc1cccc(Sc2ccccc2CCN)c1
InChIInChI=1S/C15H17NOS/c1-17-13-6-4-7-14(11-13)18-15-8-3-2-5-12(15)9-10-16/h2-8,11H,9-10,16H2,1H3
InChIKeyJGPRIVZHLZYVGE-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.35
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine

2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine (PubChem CID 55239501) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
PubChem CID55239501
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
SMILESCOc1cccc(Sc2ccccc2CCN)c1
InChIInChI=1S/C15H17NOS/c1-17-13-6-4-7-14(11-13)18-15-8-3-2-5-12(15)9-10-16/h2-8,11H,9-10,16H2,1H3
InChIKeyJGPRIVZHLZYVGE-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
1-[2-(3-methoxyphenyl)sulfanylphenyl]ethanol
CID 15115029
4-chloro-2-(3-methoxyphenyl)sulfanylaniline
CID 115469501
2-(2-aminoethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63785861
methyl 2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetate
CID 15125730
2-[2-(3-phenoxyphenyl)sulfanylphenyl]acetic acid
CID 15125729
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
2-[5-(3-methoxyphenyl)sulfanyl-2-methyl-1H-indol-3-yl]ethanamine
CID 142211142
N-[1-[2-(3-methoxyphenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 43286252
N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide
CID 169183102
5-amino-2-(3-methoxyphenyl)sulfanylbenzonitrile
CID 61297850

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine (CID 55239501) is 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine is COc1cccc(Sc2ccccc2CCN)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
The InChIKey is JGPRIVZHLZYVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-17-13-6-4-7-14(11-13)18-15-8-3-2-5-12(15)9-10-16/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine?
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine has a molecular weight of 259.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 55239501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).