6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H17BrN2O2 — CID 114939162

IUPAC6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(OC)nc2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H17BrN2O2/c1-18-13-8-15(10-3-6-16(20-2)19-9-10)21-14-5-4-11(17)7-12(13)14/h3-7,9,13,15,18H,8H2,1-2H3
InChIKeyKOVYYZXZUXALEQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.64
Rot. Bonds3

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

6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114939162) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114939162
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(OC)nc2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H17BrN2O2/c1-18-13-8-15(10-3-6-16(20-2)19-9-10)21-14-5-4-11(17)7-12(13)14/h3-7,9,13,15,18H,8H2,1-2H3
InChIKeyKOVYYZXZUXALEQ-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

Analyze 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713236
2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 175298871
[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]methanol
CID 114713189
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710902
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114939162) is 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(OC)nc2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KOVYYZXZUXALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-13-8-15(10-3-6-16(20-2)19-9-10)21-14-5-4-11(17)7-12(13)14/h3-7,9,13,15,18H,8H2,1-2H3.
What are the key properties of 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(6-methoxy-3-pyridinyl)-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 6-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114939162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).