2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine

C15H18BrNOS — CID 115862188

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-10-6-7-19-15(10)14(17)9-11-8-12(18-2)4-5-13(11)16/h4-8,14H,3,9,17H2,1-2H3
InChIKeyRVZGBCGOUZQPBE-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.32
Rot. Bonds5

About 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine

2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 115862188) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID115862188
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccsc1C(N)Cc1cc(OC)ccc1Br
InChIInChI=1S/C15H18BrNOS/c1-3-10-6-7-19-15(10)14(17)9-11-8-12(18-2)4-5-13(11)16/h4-8,14H,3,9,17H2,1-2H3
InChIKeyRVZGBCGOUZQPBE-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 79975339
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(3-bromo-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115818464
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 115862188) is 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1ccsc1C(N)Cc1cc(OC)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is RVZGBCGOUZQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c1-3-10-6-7-19-15(10)14(17)9-11-8-12(18-2)4-5-13(11)16/h4-8,14H,3,9,17H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 340.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115862188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).