1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine

C15H19N3O — CID 65412050

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)C2COc3ccccc3C2)cn1
InChIInChI=1S/C15H19N3O/c1-18-9-11(8-17-18)6-14(16)13-7-12-4-2-3-5-15(12)19-10-13/h2-5,8-9,13-14H,6-7,10,16H2,1H3
InChIKeyFFFQAYKVYUHUIS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.54
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 65412050) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID65412050
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)C2COc3ccccc3C2)cn1
InChIInChI=1S/C15H19N3O/c1-18-9-11(8-17-18)6-14(16)13-7-12-4-2-3-5-15(12)19-10-13/h2-5,8-9,13-14H,6-7,10,16H2,1H3
InChIKeyFFFQAYKVYUHUIS-UHFFFAOYSA-N
XLogP1.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 104802615
1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
CID 79186066
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65352255
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
[1-(3,4-dihydro-2H-chromen-3-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105234006
1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822001
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-phenylethanamine
CID 65410502

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 65412050) is 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)C2COc3ccccc3C2)cn1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is FFFQAYKVYUHUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-9-11(8-17-18)6-14(16)13-7-12-4-2-3-5-15(12)19-10-13/h2-5,8-9,13-14H,6-7,10,16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(3,4-dihydro-2H-chromen-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.54, 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-3-yl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65412050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).