3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine

C17H21N3O — CID 105187281

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H21N3O/c1-3-15-14(10-11(2)19-20-15)16(18)13-8-4-6-12-7-5-9-21-17(12)13/h4,6,8,10,16H,3,5,7,9,18H2,1-2H3
InChIKeyBRMZDRFVJCMIBA-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.72
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine

3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine (PubChem CID 105187281) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
PubChem CID105187281
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine
SMILESCCc1nnc(C)cc1C(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H21N3O/c1-3-15-14(10-11(2)19-20-15)16(18)13-8-4-6-12-7-5-9-21-17(12)13/h4,6,8,10,16H,3,5,7,9,18H2,1-2H3
InChIKeyBRMZDRFVJCMIBA-UHFFFAOYSA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187235
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
(3-ethyl-6-methylpyridazin-4-yl)-(2-methoxyphenyl)methanamine
CID 105093493
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
2,3-dihydro-1-benzofuran-7-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755970
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
3,4-dihydro-2H-chromen-8-yl-(3-fluoro-4-pyridinyl)methanamine
CID 114745984

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine (CID 105187281) is 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine is CCc1nnc(C)cc1C(N)c1cccc2c1OCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
The InChIKey is BRMZDRFVJCMIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-15-14(10-11(2)19-20-15)16(18)13-8-4-6-12-7-5-9-21-17(12)13/h4,6,8,10,16H,3,5,7,9,18H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine?
3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine has a molecular weight of 283.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-ethyl-6-methylpyridazin-4-yl)methanamine is sourced from PubChem (CID 105187281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).