(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H15BrFNO — CID 104947352

IUPAC(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@@H](N)c3cc(Br)ccc3O2)cc1F
InChIInChI=1S/C16H15BrFNO/c1-9-2-3-10(6-13(9)18)16-8-14(19)12-7-11(17)4-5-15(12)20-16/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1
InChIKeyWHWLKVJXXUCRPZ-IURRXHLWSA-N
MW336.20 g/mol
LogP4.42
Rot. Bonds1

About (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947352) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947352
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2C[C@@H](N)c3cc(Br)ccc3O2)cc1F
InChIInChI=1S/C16H15BrFNO/c1-9-2-3-10(6-13(9)18)16-8-14(19)12-7-11(17)4-5-15(12)20-16/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1
InChIKeyWHWLKVJXXUCRPZ-IURRXHLWSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-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

Related Compounds

(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
2-(4-bromo-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709782
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
2-(3,4-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709722
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947352) is (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C2C[C@@H](N)c3cc(Br)ccc3O2)cc1F.
What is the InChIKey of (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WHWLKVJXXUCRPZ-IURRXHLWSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-9-2-3-10(6-13(9)18)16-8-14(19)12-7-11(17)4-5-15(12)20-16/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 336.20 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).