1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine

C11H18BrNS — CID 62601735

IUPAC1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(Br)cs1
InChIInChI=1S/C11H18BrNS/c1-3-5-13-10(4-2)7-11-6-9(12)8-14-11/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyCJBBFHQLDFCTLH-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine

1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine (PubChem CID 62601735) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
PubChem CID62601735
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC Name1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)Cc1cc(Br)cs1
InChIInChI=1S/C11H18BrNS/c1-3-5-13-10(4-2)7-11-6-9(12)8-14-11/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyCJBBFHQLDFCTLH-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093811
1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)-N-propylpropan-2-amine
CID 63412914
1-(4-bromothiophen-2-yl)butan-2-ylhydrazine
CID 105201113
1-(4-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-propylpropan-2-amine
CID 115847659
1-(4-bromothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149952
1-(3-bromophenyl)sulfanyl-3-(4-bromothiophen-2-yl)-N-propylpropan-2-amine
CID 66161598
1-(4-bromothiophen-2-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 62691752
N-[2-(4-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 115847777
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
N-[2-(4-bromothiophen-2-yl)-1-cyclooctylethyl]propan-1-amine
CID 80611200
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847651
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine (CID 62601735) is 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine is CCCNC(CC)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine?
The InChIKey is CJBBFHQLDFCTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-3-5-13-10(4-2)7-11-6-9(12)8-14-11/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine?
1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine has a molecular weight of 276.24 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 62601735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).