(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine

C16H15Br2NO — CID 63708815

IUPAC(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1cc(Br)ccc1Br)C1CCOc2ccccc21
InChIInChI=1S/C16H15Br2NO/c17-10-5-6-14(18)13(9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8,19H2
InChIKeyWXGDGTIVZKKOBD-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.78
Rot. Bonds2

About (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine

(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (PubChem CID 63708815) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
PubChem CID63708815
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESNC(c1cc(Br)ccc1Br)C1CCOc2ccccc21
InChIInChI=1S/C16H15Br2NO/c17-10-5-6-14(18)13(9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8,19H2
InChIKeyWXGDGTIVZKKOBD-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 55228205
3,4-dihydro-2H-chromen-4-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299189
3,4-dihydro-2H-chromen-4-yl(furan-2-yl)methanamine
CID 63710811
2-(3-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 79700043
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
4-[chloro-(2,5-dibromothiophen-3-yl)methyl]-3,4-dihydro-2H-chromene
CID 55226474
4-[bromo-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 80536724
cyclooctyl-(2,5-dibromophenyl)methanamine
CID 65018447
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine (CID 63708815) is (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is NC(c1cc(Br)ccc1Br)C1CCOc2ccccc21.
What is the InChIKey of (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
The InChIKey is WXGDGTIVZKKOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c17-10-5-6-14(18)13(9-10)16(19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8,19H2.
What are the key properties of (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine?
(2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine has a molecular weight of 397.11 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine is sourced from PubChem (CID 63708815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).