4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine

C16H15BrFNO — CID 65403950

IUPAC4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESNC1(Cc2ccc(F)cc2Br)CCOc2ccccc21
InChIInChI=1S/C16H15BrFNO/c17-14-9-12(18)6-5-11(14)10-16(19)7-8-20-15-4-2-1-3-13(15)16/h1-6,9H,7-8,10,19H2
InChIKeyDVEJMZZIBNHCJJ-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.77
Rot. Bonds2

About 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine

4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine (PubChem CID 65403950) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
PubChem CID65403950
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine
SMILESNC1(Cc2ccc(F)cc2Br)CCOc2ccccc21
InChIInChI=1S/C16H15BrFNO/c17-14-9-12(18)6-5-11(14)10-16(19)7-8-20-15-4-2-1-3-13(15)16/h1-6,9H,7-8,10,19H2
InChIKeyDVEJMZZIBNHCJJ-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-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 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine (CID 65403950) is 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine is NC1(Cc2ccc(F)cc2Br)CCOc2ccccc21.
What is the InChIKey of 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
The InChIKey is DVEJMZZIBNHCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-14-9-12(18)6-5-11(14)10-16(19)7-8-20-15-4-2-1-3-13(15)16/h1-6,9H,7-8,10,19H2.
What are the key properties of 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine?
4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine has a molecular weight of 336.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 65403950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).