(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H15Br2NO2 — CID 104945420

IUPAC(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(Br)cc1C1C[C@@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C16H15Br2NO2/c1-20-14-5-3-9(17)6-12(14)16-8-13(19)11-4-2-10(18)7-15(11)21-16/h2-7,13,16H,8,19H2,1H3/t13-,16?/m1/s1
InChIKeyYYTVOZLJMIKPEI-JBZHPUCOSA-N
MW413.11 g/mol
LogP4.74
Rot. Bonds2

About (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945420) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945420
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC Name(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(Br)cc1C1C[C@@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C16H15Br2NO2/c1-20-14-5-3-9(17)6-12(14)16-8-13(19)11-4-2-10(18)7-15(11)21-16/h2-7,13,16H,8,19H2,1H3/t13-,16?/m1/s1
InChIKeyYYTVOZLJMIKPEI-JBZHPUCOSA-N
XLogP4.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4S)-4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 104945739
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4S)-2-(4-bromophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944586
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104945420) is (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc(Br)cc1C1C[C@@H](N)c2ccc(Br)cc2O1.
What is the InChIKey of (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YYTVOZLJMIKPEI-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-20-14-5-3-9(17)6-12(14)16-8-13(19)11-4-2-10(18)7-15(11)21-16/h2-7,13,16H,8,19H2,1H3/t13-,16?/m1/s1.
What are the key properties of (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 413.11 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).