1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine

C10H16BrNO2 — CID 105044594

IUPAC1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7,10H,5-6,12H2,1-2H3
InChIKeyFZLDWIBDHTYURP-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.71
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine

1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044594) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine
PubChem CID105044594
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)c1ccc(Br)o1
InChIInChI=1S/C10H16BrNO2/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7,10H,5-6,12H2,1-2H3
InChIKeyFZLDWIBDHTYURP-UHFFFAOYSA-N
XLogP2.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044722
1-(3-bromo-2-chlorophenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044258
1-(4-bromo-2-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044773
(1R)-1-(5-bromofuran-2-yl)-2,2-difluoroethanamine
CID 130673890
1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-one
CID 115807303
(5-bromofuran-2-yl)-[2-(2-methoxyethyl)pyrazol-3-yl]methanamine
CID 114277900
(1S)-1-(5-bromofuran-2-yl)propane-1,3-diamine
CID 130817286
1-(2-fluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044354
(1S)-1-(5-bromofuran-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171219563
(1S)-1-(5-bromofuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171219569
4-[1-(5-bromofuran-2-yl)ethylamino]-1-methoxybutan-2-ol
CID 107093913
(1R)-1-(5-bromofuran-2-yl)pentan-1-amine
CID 146012743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine (CID 105044594) is 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine is COCCC(C)C(N)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine?
The InChIKey is FZLDWIBDHTYURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c1-7(5-6-13-2)10(12)8-3-4-9(11)14-8/h3-4,7,10H,5-6,12H2,1-2H3.
What are the key properties of 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine?
1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine has a molecular weight of 262.15 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).