1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine

C14H13BrF3NO — CID 63085991

IUPAC1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H13BrF3NO/c1-8(19)6-10-3-5-13(20-10)11-4-2-9(15)7-12(11)14(16,17)18/h2-5,7-8H,6,19H2,1H3
InChIKeyBLYUKIKZZSWPKI-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.62
Rot. Bonds3

About 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine

1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine (PubChem CID 63085991) has the molecular formula C14H13BrF3NO and a molecular weight of 348.16 g/mol. Its IUPAC name is 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
PubChem CID63085991
Molecular FormulaC14H13BrF3NO
Molecular Weight348.16 g/mol
Exact Mass347.01
IUPAC Name1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine
SMILESCC(N)Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H13BrF3NO/c1-8(19)6-10-3-5-13(20-10)11-4-2-9(15)7-12(11)14(16,17)18/h2-5,7-8H,6,19H2,1H3
InChIKeyBLYUKIKZZSWPKI-UHFFFAOYSA-N
XLogP4.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-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-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine (CID 63085991) is 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine is CC(N)Cc1ccc(-c2ccc(Br)cc2C(F)(F)F)o1.
What is the InChIKey of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
The InChIKey is BLYUKIKZZSWPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NO/c1-8(19)6-10-3-5-13(20-10)11-4-2-9(15)7-12(11)14(16,17)18/h2-5,7-8H,6,19H2,1H3.
What are the key properties of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine?
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine has a molecular weight of 348.16 g/mol, XLogP of 4.62, 3 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-(trifluoromethyl)phenyl]furan-2-yl]propan-2-amine is sourced from PubChem (CID 63085991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).