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

C16H16BrNO — CID 104947544

IUPAC(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccccc1C1C[C@@H](N)c2cc(Br)ccc2O1
InChIInChI=1S/C16H16BrNO/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,14,16H,9,18H2,1H3/t14-,16?/m1/s1
InChIKeySOKQBXWYXPFCIM-IURRXHLWSA-N
MW318.21 g/mol
LogP4.28
Rot. Bonds1

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

(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947544) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947544
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccccc1C1C[C@@H](N)c2cc(Br)ccc2O1
InChIInChI=1S/C16H16BrNO/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,14,16H,9,18H2,1H3/t14-,16?/m1/s1
InChIKeySOKQBXWYXPFCIM-IURRXHLWSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-bromo-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947376
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 112739916
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946460
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947544) is (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccccc1C1C[C@@H](N)c2cc(Br)ccc2O1.
What is the InChIKey of (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SOKQBXWYXPFCIM-IURRXHLWSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-10-4-2-3-5-12(10)16-9-14(18)13-8-11(17)6-7-15(13)19-16/h2-8,14,16H,9,18H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.28, 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-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).