7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

C15H19N3O2 — CID 114710872

IUPAC7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cncn2C)Oc2cc(OC)ccc21
InChIInChI=1S/C15H19N3O2/c1-16-12-7-15(13-8-17-9-18(13)2)20-14-6-10(19-3)4-5-11(12)14/h4-6,8-9,12,15-16H,7H2,1-3H3
InChIKeyOJMRGLHSSGLEGB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.21
Rot. Bonds3

About 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine

7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710872) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710872
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cncn2C)Oc2cc(OC)ccc21
InChIInChI=1S/C15H19N3O2/c1-16-12-7-15(13-8-17-9-18(13)2)20-14-6-10(19-3)4-5-11(12)14/h4-6,8-9,12,15-16H,7H2,1-3H3
InChIKeyOJMRGLHSSGLEGB-UHFFFAOYSA-N
XLogP2.21
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-6-methoxy-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946805
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
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710902
(4S)-7-methoxy-2-(3-propylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948826
7-methoxy-N-methyl-2-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710884
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
(4S)-7-fluoro-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951809
2-(2-chlorophenyl)-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712980
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
7-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114939156
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114710872) is 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cncn2C)Oc2cc(OC)ccc21.
What is the InChIKey of 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OJMRGLHSSGLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-12-7-15(13-8-17-9-18(13)2)20-14-6-10(19-3)4-5-11(12)14/h4-6,8-9,12,15-16H,7H2,1-3H3.
What are the key properties of 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine?
7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-2-(3-methylimidazol-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).