1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C11H16BrNO2 — CID 115861419

IUPAC1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1occc1Br)C1OCCC1C
InChIInChI=1S/C11H16BrNO2/c1-7-3-5-14-10(7)9(13-2)11-8(12)4-6-15-11/h4,6-7,9-10,13H,3,5H2,1-2H3
InChIKeySJFKWDUKASSOEX-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 115861419) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID115861419
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1occc1Br)C1OCCC1C
InChIInChI=1S/C11H16BrNO2/c1-7-3-5-14-10(7)9(13-2)11-8(12)4-6-15-11/h4,6-7,9-10,13H,3,5H2,1-2H3
InChIKeySJFKWDUKASSOEX-UHFFFAOYSA-N
XLogP2.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211
1-(3-bromofuran-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65393949
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345943
1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
[(3-bromothiophen-2-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105327960
1-(3-bromofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 63943419
1-(3-bromofuran-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105150702
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 114275397
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 107293682

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 115861419) is 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1occc1Br)C1OCCC1C.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is SJFKWDUKASSOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-7-3-5-14-10(7)9(13-2)11-8(12)4-6-15-11/h4,6-7,9-10,13H,3,5H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine has a molecular weight of 274.16 g/mol, XLogP of 2.73, 3 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-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 115861419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).