1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C17H23N3O — CID 105187282

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1cccc2c1OCCC2)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N3O/c1-11-15(12(2)20(4)19-11)16(18-3)14-9-5-7-13-8-6-10-21-17(13)14/h5,7,9,16,18H,6,8,10H2,1-4H3
InChIKeyFERHLNJXGCUFRY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.67
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105187282) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105187282
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1cccc2c1OCCC2)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N3O/c1-11-15(12(2)20(4)19-11)16(18-3)14-9-5-7-13-8-6-10-21-17(13)14/h5,7,9,16,18H,6,8,10H2,1-4H3
InChIKeyFERHLNJXGCUFRY-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105189342
1-(3,4-dihydro-2H-chromen-8-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374331
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
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-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
1-(3,4-dihydro-2H-chromen-8-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105049103

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105187282) is 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CNC(c1cccc2c1OCCC2)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is FERHLNJXGCUFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-15(12(2)20(4)19-11)16(18-3)14-9-5-7-13-8-6-10-21-17(13)14/h5,7,9,16,18H,6,8,10H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).