6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine

C17H21N3O2 — CID 72853363

IUPAC6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
SMILESCOc1cccc2c1OCC(Cc1ccc(N(C)C)nn1)C2
InChIInChI=1S/C17H21N3O2/c1-20(2)16-8-7-14(18-19-16)10-12-9-13-5-4-6-15(21-3)17(13)22-11-12/h4-8,12H,9-11H2,1-3H3
InChIKeyVPFHRUZKXBEPLK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.35
Rot. Bonds4

About 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine

6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine (PubChem CID 72853363) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
PubChem CID72853363
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
SMILESCOc1cccc2c1OCC(Cc1ccc(N(C)C)nn1)C2
InChIInChI=1S/C17H21N3O2/c1-20(2)16-8-7-14(18-19-16)10-12-9-13-5-4-6-15(21-3)17(13)22-11-12/h4-8,12H,9-11H2,1-3H3
InChIKeyVPFHRUZKXBEPLK-UHFFFAOYSA-N
XLogP2.35
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
N-ethyl-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyrimidin-4-amine
CID 97275974
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
CID 72899135
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583

Frequently Asked Questions

What is the IUPAC name of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine?
The IUPAC name of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine (CID 72853363) is 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine?
The canonical SMILES for 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine is COc1cccc2c1OCC(Cc1ccc(N(C)C)nn1)C2.
What is the InChIKey of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine?
The InChIKey is VPFHRUZKXBEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(2)16-8-7-14(18-19-16)10-12-9-13-5-4-6-15(21-3)17(13)22-11-12/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine?
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine has a molecular weight of 299.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine is sourced from PubChem (CID 72853363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).