5-bromo-2-(4-methylcyclohexyl)furan-3-amine

C11H16BrNO — CID 82380411

IUPAC5-bromo-2-(4-methylcyclohexyl)furan-3-amine
SMILESCC1CCC(c2oc(Br)cc2N)CC1
InChIInChI=1S/C11H16BrNO/c1-7-2-4-8(5-3-7)11-9(13)6-10(12)14-11/h6-8H,2-5,13H2,1H3
InChIKeySEGSNSALOWMZIV-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.92
Rot. Bonds1

About 5-bromo-2-(4-methylcyclohexyl)furan-3-amine

5-bromo-2-(4-methylcyclohexyl)furan-3-amine (PubChem CID 82380411) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-2-(4-methylcyclohexyl)furan-3-amine.

Molecular Properties

Compound Name5-bromo-2-(4-methylcyclohexyl)furan-3-amine
PubChem CID82380411
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name5-bromo-2-(4-methylcyclohexyl)furan-3-amine
SMILESCC1CCC(c2oc(Br)cc2N)CC1
InChIInChI=1S/C11H16BrNO/c1-7-2-4-8(5-3-7)11-9(13)6-10(12)14-11/h6-8H,2-5,13H2,1H3
InChIKeySEGSNSALOWMZIV-UHFFFAOYSA-N
XLogP3.92
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylcyclohexyl)furan-3-amine?
The IUPAC name of 5-bromo-2-(4-methylcyclohexyl)furan-3-amine (CID 82380411) is 5-bromo-2-(4-methylcyclohexyl)furan-3-amine.
What is the SMILES notation for 5-bromo-2-(4-methylcyclohexyl)furan-3-amine?
The canonical SMILES for 5-bromo-2-(4-methylcyclohexyl)furan-3-amine is CC1CCC(c2oc(Br)cc2N)CC1.
What is the InChIKey of 5-bromo-2-(4-methylcyclohexyl)furan-3-amine?
The InChIKey is SEGSNSALOWMZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-7-2-4-8(5-3-7)11-9(13)6-10(12)14-11/h6-8H,2-5,13H2,1H3.
What are the key properties of 5-bromo-2-(4-methylcyclohexyl)furan-3-amine?
5-bromo-2-(4-methylcyclohexyl)furan-3-amine has a molecular weight of 258.16 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylcyclohexyl)furan-3-amine is sourced from PubChem (CID 82380411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).