1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

C12H18BrNO2 — CID 115861332

IUPAC1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1occc1Br
InChIInChI=1S/C12H18BrNO2/c1-14-11(12-10(13)6-8-16-12)5-4-9-3-2-7-15-9/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyZFDWWJCJUOOORR-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.26
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 115861332) has the molecular formula C12H18BrNO2 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID115861332
Molecular FormulaC12H18BrNO2
Molecular Weight288.18 g/mol
Exact Mass287.05
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1occc1Br
InChIInChI=1S/C12H18BrNO2/c1-14-11(12-10(13)6-8-16-12)5-4-9-3-2-7-15-9/h6,8-9,11,14H,2-5,7H2,1H3
InChIKeyZFDWWJCJUOOORR-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
1-(3-bromofuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 115861250
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-(3-bromofuran-2-yl)-3-(oxan-2-yl)propan-1-ol
CID 115800610
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-(2-bromo-4-methoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156141
1-(2-bromo-4,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65156118
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 105056695
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 115861332) is 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is ZFDWWJCJUOOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-14-11(12-10(13)6-8-16-12)5-4-9-3-2-7-15-9/h6,8-9,11,14H,2-5,7H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 288.18 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 115861332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).