1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

C16H19N3O2 — CID 103374331

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nn1)c1cccc2c1OCCC2
InChIInChI=1S/C16H19N3O2/c1-17-15(13-8-9-14(20-2)19-18-13)12-7-3-5-11-6-4-10-21-16(11)12/h3,5,7-9,15,17H,4,6,10H2,1-2H3
InChIKeySTBRLPCNJDBANR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.12
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine (PubChem CID 103374331) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
PubChem CID103374331
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)nn1)c1cccc2c1OCCC2
InChIInChI=1S/C16H19N3O2/c1-17-15(13-8-9-14(20-2)19-18-13)12-7-3-5-11-6-4-10-21-16(11)12/h3,5,7-9,15,17H,4,6,10H2,1-2H3
InChIKeySTBRLPCNJDBANR-UHFFFAOYSA-N
XLogP2.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105049103
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105187282
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 105049004
1-(3-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049025
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373276
1-(3,4-dihydro-2H-chromen-8-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 114746173

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine (CID 103374331) is 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine is CNC(c1ccc(OC)nn1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The InChIKey is STBRLPCNJDBANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-17-15(13-8-9-14(20-2)19-18-13)12-7-3-5-11-6-4-10-21-16(11)12/h3,5,7-9,15,17H,4,6,10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 103374331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).