(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H15BrFNO — CID 104945572

IUPAC(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(F)ccc1C1C[C@@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C16H15BrFNO/c1-9-6-11(18)3-5-12(9)16-8-14(19)13-4-2-10(17)7-15(13)20-16/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1
InChIKeyVMECVSIFHBYIJC-IURRXHLWSA-N
MW336.20 g/mol
LogP4.42
Rot. Bonds1

About (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945572) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945572
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(F)ccc1C1C[C@@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C16H15BrFNO/c1-9-6-11(18)3-5-12(9)16-8-14(19)13-4-2-10(17)7-15(13)20-16/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1
InChIKeyVMECVSIFHBYIJC-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

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Related Compounds

2-(4-fluoro-2-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709770
6-chloro-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709097
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945595
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 102846179
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945572) is (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(F)ccc1C1C[C@@H](N)c2ccc(Br)cc2O1.
What is the InChIKey of (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VMECVSIFHBYIJC-IURRXHLWSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-9-6-11(18)3-5-12(9)16-8-14(19)13-4-2-10(17)7-15(13)20-16/h2-7,14,16H,8,19H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-bromo-2-(4-fluoro-2-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)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).