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

C16H18N2O2 — CID 104947077

IUPAC(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(c1cnccc1C)O2
InChIInChI=1S/C16H18N2O2/c1-10-5-6-18-9-13(10)16-8-14(17)12-7-11(19-2)3-4-15(12)20-16/h3-7,9,14,16H,8,17H2,1-2H3/t14-,16?/m1/s1
InChIKeyFRGGOCKQIIFIQJ-IURRXHLWSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds2

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

(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947077) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947077
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@H](N)CC(c1cnccc1C)O2
InChIInChI=1S/C16H18N2O2/c1-10-5-6-18-9-13(10)16-8-14(17)12-7-11(19-2)3-4-15(12)20-16/h3-7,9,14,16H,8,17H2,1-2H3/t14-,16?/m1/s1
InChIKeyFRGGOCKQIIFIQJ-IURRXHLWSA-N
XLogP2.92
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709825
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946903
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709851
(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946805
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
(4S)-6-methoxy-2-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946802
(4R)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404456
(4S)-2-(3-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 105404455
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709910
(4S)-2-(2-bromo-4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946930

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947077) is (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@H](N)CC(c1cnccc1C)O2.
What is the InChIKey of (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is FRGGOCKQIIFIQJ-IURRXHLWSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-6-18-9-13(10)16-8-14(17)12-7-11(19-2)3-4-15(12)20-16/h3-7,9,14,16H,8,17H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 270.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).