1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine

C11H18BrNO2 — CID 116719920

IUPAC1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1occc1Br)C(OC)C(C)C
InChIInChI=1S/C11H18BrNO2/c1-7(2)10(14-4)9(13-3)11-8(12)5-6-15-11/h5-7,9-10,13H,1-4H3
InChIKeyRDKVAOUHOPRIKI-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine

1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 116719920) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
PubChem CID116719920
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(c1occc1Br)C(OC)C(C)C
InChIInChI=1S/C11H18BrNO2/c1-7(2)10(14-4)9(13-3)11-8(12)5-6-15-11/h5-7,9-10,13H,1-4H3
InChIKeyRDKVAOUHOPRIKI-UHFFFAOYSA-N
XLogP2.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79492649
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721618
1-(3-bromofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 63943232
[1-(3-bromofuran-2-yl)-2-methoxypentyl]hydrazine
CID 105271903
3-(3-bromofuran-2-yl)-3-hydroxy-2-methylpropanenitrile
CID 106889617
2-methoxy-N,3-dimethyl-1-(4-phenylphenyl)butan-1-amine
CID 116720033
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(3-bromofuran-2-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 63943412
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
[1-(3-bromofuran-2-yl)-2-methoxyethyl]hydrazine
CID 105207395
1-(3-bromofuran-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 64987211

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine (CID 116719920) is 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine is CNC(c1occc1Br)C(OC)C(C)C.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is RDKVAOUHOPRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-7(2)10(14-4)9(13-3)11-8(12)5-6-15-11/h5-7,9-10,13H,1-4H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine?
1-(3-bromofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 276.17 g/mol, XLogP of 2.97, 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)-2-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116719920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).