(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone

C14H20BrNO2 — CID 79067062

IUPAC(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
SMILESCC1CCC(C(=O)c2occc2Br)(N(C)C)CC1
InChIInChI=1S/C14H20BrNO2/c1-10-4-7-14(8-5-10,16(2)3)13(17)12-11(15)6-9-18-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyRAZJGJKEQRARHQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.74
Rot. Bonds3

About (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone

(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone (PubChem CID 79067062) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
PubChem CID79067062
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
SMILESCC1CCC(C(=O)c2occc2Br)(N(C)C)CC1
InChIInChI=1S/C14H20BrNO2/c1-10-4-7-14(8-5-10,16(2)3)13(17)12-11(15)6-9-18-12/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyRAZJGJKEQRARHQ-UHFFFAOYSA-N
XLogP3.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The IUPAC name of (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone (CID 79067062) is (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The canonical SMILES for (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone is CC1CCC(C(=O)c2occc2Br)(N(C)C)CC1.
What is the InChIKey of (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
The InChIKey is RAZJGJKEQRARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10-4-7-14(8-5-10,16(2)3)13(17)12-11(15)6-9-18-12/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone?
(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone has a molecular weight of 314.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone is sourced from PubChem (CID 79067062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).