1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine

C12H19NO2 — CID 104789721

IUPAC1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1occc1C(N)CCC1CCCO1
InChIInChI=1S/C12H19NO2/c1-9-11(6-8-14-9)12(13)5-4-10-3-2-7-15-10/h6,8,10,12H,2-5,7,13H2,1H3
InChIKeyLMLVGVLFXPCIAE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine

1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104789721) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104789721
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCc1occc1C(N)CCC1CCCO1
InChIInChI=1S/C12H19NO2/c1-9-11(6-8-14-9)12(13)5-4-10-3-2-7-15-10/h6,8,10,12H,2-5,7,13H2,1H3
InChIKeyLMLVGVLFXPCIAE-UHFFFAOYSA-N
XLogP2.55
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79421800
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 63952126

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine (CID 104789721) is 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine is Cc1occc1C(N)CCC1CCCO1.
What is the InChIKey of 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is LMLVGVLFXPCIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-11(6-8-14-9)12(13)5-4-10-3-2-7-15-10/h6,8,10,12H,2-5,7,13H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine?
1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104789721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).