1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

C13H22BrNOS — CID 103028723

IUPAC1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1sccc1Br
InChIInChI=1S/C13H22BrNOS/c1-5-7-15-11(9-13(2,3)16-4)12-10(14)6-8-17-12/h6,8,11,15H,5,7,9H2,1-4H3
InChIKeyMLBPNDDECBVXHI-UHFFFAOYSA-N
MW320.30 g/mol
LogP4.37
Rot. Bonds7

About 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine

1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 103028723) has the molecular formula C13H22BrNOS and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID103028723
Molecular FormulaC13H22BrNOS
Molecular Weight320.30 g/mol
Exact Mass319.06
IUPAC Name1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)c1sccc1Br
InChIInChI=1S/C13H22BrNOS/c1-5-7-15-11(9-13(2,3)16-4)12-10(14)6-8-17-12/h6,8,11,15H,5,7,9H2,1-4H3
InChIKeyMLBPNDDECBVXHI-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028722
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine (CID 103028723) is 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is MLBPNDDECBVXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNOS/c1-5-7-15-11(9-13(2,3)16-4)12-10(14)6-8-17-12/h6,8,11,15H,5,7,9H2,1-4H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 320.30 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 103028723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).