1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine

C16H20BrNOS — CID 65325080

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(Cc1cccs1)Cc1cc(OC)ccc1Br
InChIInChI=1S/C16H20BrNOS/c1-3-18-13(11-15-5-4-8-20-15)9-12-10-14(19-2)6-7-16(12)17/h4-8,10,13,18H,3,9,11H2,1-2H3
InChIKeyNABBBRNFHIWUAD-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.28
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine

1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 65325080) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
PubChem CID65325080
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(Cc1cccs1)Cc1cc(OC)ccc1Br
InChIInChI=1S/C16H20BrNOS/c1-3-18-13(11-15-5-4-8-20-15)9-12-10-14(19-2)6-7-16(12)17/h4-8,10,13,18H,3,9,11H2,1-2H3
InChIKeyNABBBRNFHIWUAD-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 62604361
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65325525
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
1-(2-bromo-5-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 61077956
2-(2-bromo-5-methoxyphenyl)-1-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 65325618
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
1-(5-bromo-2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501357
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine (CID 65325080) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine is CCNC(Cc1cccs1)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is NABBBRNFHIWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-3-18-13(11-15-5-4-8-20-15)9-12-10-14(19-2)6-7-16(12)17/h4-8,10,13,18H,3,9,11H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 354.31 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 65325080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).