1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

C18H27NO2 — CID 104770157

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(CC1CCCO1)CC1CCOc2ccccc21
InChIInChI=1S/C18H27NO2/c1-2-19-15(13-16-6-5-10-20-16)12-14-9-11-21-18-8-4-3-7-17(14)18/h3-4,7-8,14-16,19H,2,5-6,9-13H2,1H3
InChIKeyQBQDYALECYYZJQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.49
Rot. Bonds6

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine

1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 104770157) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID104770157
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
SMILESCCNC(CC1CCCO1)CC1CCOc2ccccc21
InChIInChI=1S/C18H27NO2/c1-2-19-15(13-16-6-5-10-20-16)12-14-9-11-21-18-8-4-3-7-17(14)18/h3-4,7-8,14-16,19H,2,5-6,9-13H2,1H3
InChIKeyQBQDYALECYYZJQ-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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-5,5,5-trifluoropentan-2-amine
CID 104770504
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-methylbutan-2-amine
CID 104770168
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine (CID 104770157) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is CCNC(CC1CCCO1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is QBQDYALECYYZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-19-15(13-16-6-5-10-20-16)12-14-9-11-21-18-8-4-3-7-17(14)18/h3-4,7-8,14-16,19H,2,5-6,9-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 104770157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).