N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H15Br2NO2 — CID 43789312

IUPACN-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(Br)ccc1Br)CCO2
InChIInChI=1S/C16H15Br2NO2/c1-20-11-3-5-16-12(9-11)14(6-7-21-16)19-15-8-10(17)2-4-13(15)18/h2-5,8-9,14,19H,6-7H2,1H3
InChIKeyAYNDMZQKBZOLBY-UHFFFAOYSA-N
MW413.11 g/mol
LogP5.16
Rot. Bonds3

About N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43789312) has the molecular formula C16H15Br2NO2 and a molecular weight of 413.11 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID43789312
Molecular FormulaC16H15Br2NO2
Molecular Weight413.11 g/mol
Exact Mass410.95
IUPAC NameN-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(Br)ccc1Br)CCO2
InChIInChI=1S/C16H15Br2NO2/c1-20-11-3-5-16-12(9-11)14(6-7-21-16)19-15-8-10(17)2-4-13(15)18/h2-5,8-9,14,19H,6-7H2,1H3
InChIKeyAYNDMZQKBZOLBY-UHFFFAOYSA-N
XLogP5.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.11
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
N-(2-chloro-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43772699
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-1-methylpiperidin-4-amine
CID 43775844
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
2-bromo-N-cyclopropyl-5-methoxyaniline
CID 103439281
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 43789312) is N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)C(Nc1cc(Br)ccc1Br)CCO2.
What is the InChIKey of N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AYNDMZQKBZOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO2/c1-20-11-3-5-16-12(9-11)14(6-7-21-16)19-15-8-10(17)2-4-13(15)18/h2-5,8-9,14,19H,6-7H2,1H3.
What are the key properties of N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 413.11 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43789312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).