3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol

C12H18BrNO3 — CID 107270892

IUPAC3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO3/c1-8(10-3-4-11(13)17-10)14-7-12(15)5-6-16-9(12)2/h3-4,8-9,14-15H,5-7H2,1-2H3
InChIKeyGOZCBOWGAORZLE-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.23
Rot. Bonds4

About 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol

3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270892) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
PubChem CID107270892
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol
SMILESCC(NCC1(O)CCOC1C)c1ccc(Br)o1
InChIInChI=1S/C12H18BrNO3/c1-8(10-3-4-11(13)17-10)14-7-12(15)5-6-16-9(12)2/h3-4,8-9,14-15H,5-7H2,1-2H3
InChIKeyGOZCBOWGAORZLE-UHFFFAOYSA-N
XLogP2.23
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol with MolForge

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Related Compounds

3-[(5-Bromofuran-2-yl)methylamino]-3-(oxan-4-yl)propanamide
CID 91652750
4-[(5-Bromofuran-2-yl)methylamino]-2-methylbutan-2-ol
CID 119048048
2-[(5-Bromofuran-2-yl)methylamino]cyclopentan-1-ol
CID 121517790
[3-[(5-Bromofuran-2-yl)methylamino]oxolan-3-yl]methanol
CID 121517800
2-[2-[(5-Bromofuran-2-yl)methylamino]cyclopentyl]ethanol
CID 121517805
N-[1-(5-bromofuran-2-yl)ethyl]-1-(furan-2-yl)-2-methoxyethanamine
CID 121520625
2-[[(1r)-2-Amino-1-(5-bromo-2-furyl)ethyl]amino]ethanol
CID 129847460
2-[[(1s)-2-Amino-1-(5-bromo-2-furyl)ethyl]amino]ethanol
CID 129847464
3-[1-(5-Bromofuran-2-yl)ethylamino]-1-(4-fluorophenyl)butan-1-ol
CID 86806738
(1S,3R)-3-[[(1S)-1-(5-bromofuran-2-yl)ethyl]amino]-1-(4-fluorophenyl)butan-1-ol
CID 97821815
(1R,3R)-3-[[(1S)-1-(5-bromofuran-2-yl)ethyl]amino]-1-(4-fluorophenyl)butan-1-ol
CID 97821817
(1S,3R)-3-[[(1R)-1-(5-bromofuran-2-yl)ethyl]amino]-1-(4-fluorophenyl)butan-1-ol
CID 100600991

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol (CID 107270892) is 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol is CC(NCC1(O)CCOC1C)c1ccc(Br)o1.
What is the InChIKey of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
The InChIKey is GOZCBOWGAORZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-8(10-3-4-11(13)17-10)14-7-12(15)5-6-16-9(12)2/h3-4,8-9,14-15H,5-7H2,1-2H3.
What are the key properties of 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol?
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol has a molecular weight of 304.18 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).