7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H13Br2NO — CID 114709292

IUPAC7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cccc(Br)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H13Br2NO/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,13-14H,8,18H2
InChIKeyOBZSUVRHLHLZFW-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.74
Rot. Bonds1

About 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709292) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709292
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cccc(Br)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H13Br2NO/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,13-14H,8,18H2
InChIKeyOBZSUVRHLHLZFW-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945469
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
4-(4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl)-2-fluorophenol
CID 107694178
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
(4S)-7-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945659
5-[(4S)-4-amino-7-bromo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
CID 104945739
7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
(4R)-7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945465
7-bromo-2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709213
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114709292) is 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2cccc(Br)c2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OBZSUVRHLHLZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-7,13-14H,8,18H2.
What are the key properties of 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 383.08 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).