1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C15H24BrNOS — CID 104993148

IUPAC1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1sccc1Br
InChIInChI=1S/C15H24BrNOS/c1-2-9-17-14(15-13(16)8-11-19-15)7-3-5-12-6-4-10-18-12/h8,11-12,14,17H,2-7,9-10H2,1H3
InChIKeyJEHNCGONOIHTKZ-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.90
Rot. Bonds8

About 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 104993148) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID104993148
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1sccc1Br
InChIInChI=1S/C15H24BrNOS/c1-2-9-17-14(15-13(16)8-11-19-15)7-3-5-12-6-4-10-18-12/h8,11-12,14,17H,2-7,9-10H2,1H3
InChIKeyJEHNCGONOIHTKZ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 80535906
4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104993082
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
1-(4-bromo-2-methylphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993197
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156974
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
N-[3-(oxolan-2-yl)propyl]-1-thiophen-2-ylbutan-1-amine
CID 65164005
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65164814

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 104993148) is 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is JEHNCGONOIHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-2-9-17-14(15-13(16)8-11-19-15)7-3-5-12-6-4-10-18-12/h8,11-12,14,17H,2-7,9-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 346.33 g/mol, XLogP of 4.90, 8 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)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 104993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).