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

C17H21NO2 — CID 104770367

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1ccoc1
InChIInChI=1S/C17H21NO2/c1-2-18-16(14-7-9-19-12-14)11-13-8-10-20-17-6-4-3-5-15(13)17/h3-7,9,12-13,16,18H,2,8,10-11H2,1H3
InChIKeyNFIMDNHRZDIRQF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.89
Rot. Bonds5

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

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine (PubChem CID 104770367) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
PubChem CID104770367
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1ccoc1
InChIInChI=1S/C17H21NO2/c1-2-18-16(14-7-9-19-12-14)11-13-8-10-20-17-6-4-3-5-15(13)17/h3-7,9,12-13,16,18H,2,8,10-11H2,1H3
InChIKeyNFIMDNHRZDIRQF-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104770198
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105179826
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
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)-3-ethyl-N-propylpentan-2-amine
CID 105034374
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine (CID 104770367) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine is CCNC(CC1CCOc2ccccc21)c1ccoc1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine?
The InChIKey is NFIMDNHRZDIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-18-16(14-7-9-19-12-14)11-13-8-10-20-17-6-4-3-5-15(13)17/h3-7,9,12-13,16,18H,2,8,10-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.89, 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-(furan-3-yl)ethanamine is sourced from PubChem (CID 104770367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).