1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine

C13H20BrNO2S — CID 103546567

IUPAC1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)CC1OCCO1
InChIInChI=1S/C13H20BrNO2S/c1-2-5-15-10(9-13-16-6-7-17-13)8-11-3-4-12(14)18-11/h3-4,10,13,15H,2,5-9H2,1H3
InChIKeyFUAOFIXMHXFAQB-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.18
Rot. Bonds7

About 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine (PubChem CID 103546567) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
PubChem CID103546567
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)CC1OCCO1
InChIInChI=1S/C13H20BrNO2S/c1-2-5-15-10(9-13-16-6-7-17-13)8-11-3-4-12(14)18-11/h3-4,10,13,15H,2,5-9H2,1H3
InChIKeyFUAOFIXMHXFAQB-UHFFFAOYSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-4-methoxy-N-propylbutan-2-amine
CID 62604643
3-(5-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79089490
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525
N-[2-(5-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352843
4-(5-bromothiophen-2-yl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79092455
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-propylpropan-2-amine
CID 63412878
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
1-(5-bromothiophen-2-yl)-3-(4-chlorophenoxy)-N-propylpropan-2-amine
CID 105134904
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071857
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine (CID 103546567) is 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(Br)s1)CC1OCCO1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The InChIKey is FUAOFIXMHXFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-2-5-15-10(9-13-16-6-7-17-13)8-11-3-4-12(14)18-11/h3-4,10,13,15H,2,5-9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine has a molecular weight of 334.28 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103546567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).