2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C17H23N3O — CID 105179822

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1C(N)CC1CCOc2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-20-16(10-12(2)19-20)15(18)11-13-8-9-21-17-7-5-4-6-14(13)17/h4-7,10,13,15H,3,8-9,11,18H2,1-2H3
InChIKeyXCRORGIHOAQOQM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105179822) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105179822
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1C(N)CC1CCOc2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-20-16(10-12(2)19-20)15(18)11-13-8-9-21-17-7-5-4-6-14(13)17/h4-7,10,13,15H,3,8-9,11,18H2,1-2H3
InChIKeyXCRORGIHOAQOQM-UHFFFAOYSA-N
XLogP3.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105034323
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034368
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
CID 104770299
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 114886029
1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
CID 105179792

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105179822) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1C(N)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is XCRORGIHOAQOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-16(10-12(2)19-20)15(18)11-13-8-9-21-17-7-5-4-6-14(13)17/h4-7,10,13,15H,3,8-9,11,18H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105179822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).