1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine

C17H25NO — CID 104770384

IUPAC1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
SMILESCCNC(CC1CCOc2ccccc21)C1CCC1
InChIInChI=1S/C17H25NO/c1-2-18-16(13-6-5-7-13)12-14-10-11-19-17-9-4-3-8-15(14)17/h3-4,8-9,13-14,16,18H,2,5-7,10-12H2,1H3
InChIKeyZWAJRASRZIWUCN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.72
Rot. Bonds5

About 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine

1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine (PubChem CID 104770384) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
PubChem CID104770384
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
SMILESCCNC(CC1CCOc2ccccc21)C1CCC1
InChIInChI=1S/C17H25NO/c1-2-18-16(13-6-5-7-13)12-14-10-11-19-17-9-4-3-8-15(14)17/h3-4,8-9,13-14,16,18H,2,5-7,10-12H2,1H3
InChIKeyZWAJRASRZIWUCN-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-methylcyclopentyl)ethyl]hydrazine
CID 107194689
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105034371
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
The IUPAC name of 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine (CID 104770384) is 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
The canonical SMILES for 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine is CCNC(CC1CCOc2ccccc21)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
The InChIKey is ZWAJRASRZIWUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-16(13-6-5-7-13)12-14-10-11-19-17-9-4-3-8-15(14)17/h3-4,8-9,13-14,16,18H,2,5-7,10-12H2,1H3.
What are the key properties of 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine is sourced from PubChem (CID 104770384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).