1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine

C14H15BrFNO — CID 55181120

IUPAC1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C14H15BrFNO/c1-9(17-2)7-11-4-6-14(18-11)12-5-3-10(15)8-13(12)16/h3-6,8-9,17H,7H2,1-2H3
InChIKeyOLVJOGPZSMWUSF-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.00
Rot. Bonds4

About 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 55181120) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID55181120
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C14H15BrFNO/c1-9(17-2)7-11-4-6-14(18-11)12-5-3-10(15)8-13(12)16/h3-6,8-9,17H,7H2,1-2H3
InChIKeyOLVJOGPZSMWUSF-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine (CID 55181120) is 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is OLVJOGPZSMWUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c1-9(17-2)7-11-4-6-14(18-11)12-5-3-10(15)8-13(12)16/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 312.18 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 55181120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).