1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine

C14H15BrClNO — CID 63086331

IUPAC1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cc(Br)ccc2Cl)o1
InChIInChI=1S/C14H15BrClNO/c1-9(17-2)7-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8-9,17H,7H2,1-2H3
InChIKeyZMBJUVHEEFHGGC-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.51
Rot. Bonds4

About 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 63086331) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID63086331
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cc(Br)ccc2Cl)o1
InChIInChI=1S/C14H15BrClNO/c1-9(17-2)7-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8-9,17H,7H2,1-2H3
InChIKeyZMBJUVHEEFHGGC-UHFFFAOYSA-N
XLogP4.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine 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 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine (CID 63086331) is 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cc(Br)ccc2Cl)o1.
What is the InChIKey of 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is ZMBJUVHEEFHGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c1-9(17-2)7-11-4-6-14(18-11)12-8-10(15)3-5-13(12)16/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 328.64 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 63086331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).