(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine

C12H18BrNO — CID 63942648

IUPAC(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2occc2Br)CC1
InChIInChI=1S/C12H18BrNO/c1-8-2-4-9(5-3-8)11(14)12-10(13)6-7-15-12/h6-9,11H,2-5,14H2,1H3
InChIKeyWUCFHKMUJJWQLW-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.87
Rot. Bonds2

About (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine

(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine (PubChem CID 63942648) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
PubChem CID63942648
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2occc2Br)CC1
InChIInChI=1S/C12H18BrNO/c1-8-2-4-9(5-3-8)11(14)12-10(13)6-7-15-12/h6-9,11H,2-5,14H2,1H3
InChIKeyWUCFHKMUJJWQLW-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine (CID 63942648) is (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine is CC1CCC(C(N)c2occc2Br)CC1.
What is the InChIKey of (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine?
The InChIKey is WUCFHKMUJJWQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8-2-4-9(5-3-8)11(14)12-10(13)6-7-15-12/h6-9,11H,2-5,14H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine?
(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine has a molecular weight of 272.19 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 63942648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).