2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine

C15H16BrNOS — CID 62804598

IUPAC2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CN)Sc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNOS/c1-18-13-6-2-4-11(8-13)15(10-17)19-14-7-3-5-12(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyUPXZHLUNAOHDAR-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.25
Rot. Bonds5

About 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine

2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 62804598) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
PubChem CID62804598
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CN)Sc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNOS/c1-18-13-6-2-4-11(8-13)15(10-17)19-14-7-3-5-12(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyUPXZHLUNAOHDAR-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016420
2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-(3-bromophenyl)-2-(4-tert-butylphenyl)sulfanylethanamine
CID 63539247
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
2-(3-methoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 55017982
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
3-[2-amino-1-(3-methoxyphenyl)ethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 62882150
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine (CID 62804598) is 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine is COc1cccc(C(CN)Sc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is UPXZHLUNAOHDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-18-13-6-2-4-11(8-13)15(10-17)19-14-7-3-5-12(16)9-14/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine?
2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 338.27 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 62804598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).