6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

C16H16Br2N2O — CID 114713385

IUPAC6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cncc(Br)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H16Br2N2O/c1-2-20-14-7-16(10-5-12(18)9-19-8-10)21-15-4-3-11(17)6-13(14)15/h3-6,8-9,14,16,20H,2,7H2,1H3
InChIKeyWSSDDYQAHQOEFF-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.78
Rot. Bonds3

About 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713385) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713385
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2cncc(Br)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H16Br2N2O/c1-2-20-14-7-16(10-5-12(18)9-19-8-10)21-15-4-3-11(17)6-13(14)15/h3-6,8-9,14,16,20H,2,7H2,1H3
InChIKeyWSSDDYQAHQOEFF-UHFFFAOYSA-N
XLogP4.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
6-bromo-N-ethyl-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713337
6-bromo-2-(2,5-dimethylthiophen-3-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713455
6-bromo-N-ethyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713390
N-ethyl-6-fluoro-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710640
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
6-bromo-2-butan-2-yl-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713393
7-bromo-2-(3-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711830
N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712742

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 114713385) is 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2cncc(Br)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WSSDDYQAHQOEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-2-20-14-7-16(10-5-12(18)9-19-8-10)21-15-4-3-11(17)6-13(14)15/h3-6,8-9,14,16,20H,2,7H2,1H3.
What are the key properties of 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 412.13 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-bromo-3-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).