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

C14H22BrNOS — CID 103987571

IUPAC1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1sccc1Br)CC1CCOC1
InChIInChI=1S/C14H22BrNOS/c1-2-5-16-12(8-11-3-6-17-10-11)9-14-13(15)4-7-18-14/h4,7,11-12,16H,2-3,5-6,8-10H2,1H3
InChIKeyOIWBQLPMWCVPJQ-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.85
Rot. Bonds7

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

1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (PubChem CID 103987571) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
PubChem CID103987571
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC Name1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1sccc1Br)CC1CCOC1
InChIInChI=1S/C14H22BrNOS/c1-2-5-16-12(8-11-3-6-17-10-11)9-14-13(15)4-7-18-14/h4,7,11-12,16H,2-3,5-6,8-10H2,1H3
InChIKeyOIWBQLPMWCVPJQ-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-(3-bromothiophen-2-yl)-4-cyclopentyl-N-propylbutan-2-amine
CID 115848931
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
3-(3-bromothiophen-2-yl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79088293
N-[2-(3-bromothiophen-2-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352896
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987549
1-(3-bromothiophen-2-yl)-3-[(2-methylpropan-2-yl)oxy]-N-propylpropan-2-amine
CID 105139578
N-[1-(3-chlorothiophen-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 107360148
2-(3-bromothiophen-2-yl)-1-(oxolan-3-yl)ethanol
CID 65148115
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
1-(3-bromothiophen-2-yl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 63417463

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (CID 103987571) is 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1sccc1Br)CC1CCOC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The InChIKey is OIWBQLPMWCVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-2-5-16-12(8-11-3-6-17-10-11)9-14-13(15)4-7-18-14/h4,7,11-12,16H,2-3,5-6,8-10H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine has a molecular weight of 332.31 g/mol, XLogP of 3.85, 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-(oxolan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103987571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).