2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H17BrN2O2 — CID 114710902

IUPAC2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Br)cn2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H17BrN2O2/c1-18-14-8-16(13-6-3-10(17)9-19-13)21-15-7-11(20-2)4-5-12(14)15/h3-7,9,14,16,18H,8H2,1-2H3
InChIKeyMGCONRVPVRDKMJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.64
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710902) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710902
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(Br)cn2)Oc2cc(OC)ccc21
InChIInChI=1S/C16H17BrN2O2/c1-18-14-8-16(13-6-3-10(17)9-19-13)21-15-7-11(20-2)4-5-12(14)15/h3-7,9,14,16,18H,8H2,1-2H3
InChIKeyMGCONRVPVRDKMJ-UHFFFAOYSA-N
XLogP3.64
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710872
7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710884
6-bromo-2-(5-bromo-2-pyridinyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713410
7-bromo-N-methyl-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711573
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939162
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711947
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711538

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114710902) is 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(Br)cn2)Oc2cc(OC)ccc21.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MGCONRVPVRDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-14-8-16(13-6-3-10(17)9-19-13)21-15-7-11(20-2)4-5-12(14)15/h3-7,9,14,16,18H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 349.23 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).