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

C14H22BrNOS — CID 105156974

IUPAC1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1csc(Br)c1
InChIInChI=1S/C14H22BrNOS/c1-2-7-16-13(11-9-14(15)18-10-11)6-5-12-4-3-8-17-12/h9-10,12-13,16H,2-8H2,1H3
InChIKeyOEYUCELEVAGPEO-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.51
Rot. Bonds7

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

1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (PubChem CID 105156974) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
PubChem CID105156974
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCO1)c1csc(Br)c1
InChIInChI=1S/C14H22BrNOS/c1-2-7-16-13(11-9-14(15)18-10-11)6-5-12-4-3-8-17-12/h9-10,12-13,16H,2-8H2,1H3
InChIKeyOEYUCELEVAGPEO-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
3-(oxolan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 65166768
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
N-ethyl-1-(5-iodothiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993701
1-(3-bromo-4-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156181
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
1-(3-ethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105018462
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
1-(3-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65167020
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine (CID 105156974) is 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is CCCNC(CCC1CCCO1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
The InChIKey is OEYUCELEVAGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-2-7-16-13(11-9-14(15)18-10-11)6-5-12-4-3-8-17-12/h9-10,12-13,16H,2-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine?
1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine has a molecular weight of 332.31 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 105156974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).