(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C14H17N3O2 — CID 104946805

IUPAC(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1cncn1C)O2
InChIInChI=1S/C14H17N3O2/c1-17-8-16-7-12(17)14-6-11(15)10-5-9(18-2)3-4-13(10)19-14/h3-5,7-8,11,14H,6,15H2,1-2H3/t11-,14?/m0/s1
InChIKeyHBRGAYJSHNZXLR-ZSOXZCCMSA-N
MW259.31 g/mol
LogP1.95
Rot. Bonds2

About (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946805) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946805
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)[C@@H](N)CC(c1cncn1C)O2
InChIInChI=1S/C14H17N3O2/c1-17-8-16-7-12(17)14-6-11(15)10-5-9(18-2)3-4-13(10)19-14/h3-5,7-8,11,14H,6,15H2,1-2H3/t11-,14?/m0/s1
InChIKeyHBRGAYJSHNZXLR-ZSOXZCCMSA-N
XLogP1.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709851
6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715305
(4S)-2-(1,3-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946903
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114710872
2-(1,5-dimethylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709825
(4R)-6-methoxy-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947077
2-(3-ethyl-1-methylpyrazol-4-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709910
6-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709810
(4S)-6-methoxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946910
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709925
(4S)-2-(3,5-dibromo-2-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946759
2-(3,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709843

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104946805) is (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)[C@@H](N)CC(c1cncn1C)O2.
What is the InChIKey of (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HBRGAYJSHNZXLR-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-8-16-7-12(17)14-6-11(15)10-5-9(18-2)3-4-13(10)19-14/h3-5,7-8,11,14H,6,15H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).