2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine

C18H27NO2 — CID 104770514

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)C1(C)CCCO1
InChIInChI=1S/C18H27NO2/c1-3-19-17(18(2)10-6-11-21-18)13-14-9-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,14,17,19H,3,6,9-13H2,1-2H3
InChIKeyMQMPBOPORRZWPS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine (PubChem CID 104770514) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
PubChem CID104770514
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)C1(C)CCCO1
InChIInChI=1S/C18H27NO2/c1-3-19-17(18(2)10-6-11-21-18)13-14-9-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,14,17,19H,3,6,9-13H2,1-2H3
InChIKeyMQMPBOPORRZWPS-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(1-methylcyclohexyl)ethanamine
CID 106830543
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
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-(5-methylthiophen-2-yl)ethanamine
CID 105034371
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-(furan-3-yl)ethanamine
CID 104770367
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine (CID 104770514) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine is CCNC(CC1CCOc2ccccc21)C1(C)CCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine?
The InChIKey is MQMPBOPORRZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19-17(18(2)10-6-11-21-18)13-14-9-12-20-16-8-5-4-7-15(14)16/h4-5,7-8,14,17,19H,3,6,9-13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 104770514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).