2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine

C16H18BrNO2S — CID 64650785

IUPAC2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CS(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-2-20-13-9-7-12(8-10-13)15(18)11-21(19)16-6-4-3-5-14(16)17/h3-10,15H,2,11,18H2,1H3
InChIKeyZGVKTRJULBABQH-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.66
Rot. Bonds6

About 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine

2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine (PubChem CID 64650785) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine
PubChem CID64650785
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CS(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H18BrNO2S/c1-2-20-13-9-7-12(8-10-13)15(18)11-21(19)16-6-4-3-5-14(16)17/h3-10,15H,2,11,18H2,1H3
InChIKeyZGVKTRJULBABQH-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659260
1-(4-ethoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759595
2-(benzenesulfinyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64659622
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
N-(2-bromophenyl)-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384694
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-propan-2-ylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64654172
2-tert-butylsulfinyl-1-(4-propoxyphenyl)ethanamine
CID 64651112
(3S)-3-amino-3-(4-ethoxyphenyl)propanenitrile
CID 95436607
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine (CID 64650785) is 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)CS(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is ZGVKTRJULBABQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-2-20-13-9-7-12(8-10-13)15(18)11-21(19)16-6-4-3-5-14(16)17/h3-10,15H,2,11,18H2,1H3.
What are the key properties of 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine?
2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 368.30 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfinyl-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 64650785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).