5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C17H27NO2 — CID 14330491

IUPAC5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(OCC)c2C1
InChIInChI=1S/C17H27NO2/c1-4-10-18(11-5-2)14-12-15-16(19-6-3)8-7-9-17(15)20-13-14/h7-9,14H,4-6,10-13H2,1-3H3
InChIKeyVAEQDEJISQYQNF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.51
Rot. Bonds7

About 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 14330491) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID14330491
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)C1COc2cccc(OCC)c2C1
InChIInChI=1S/C17H27NO2/c1-4-10-18(11-5-2)14-12-15-16(19-6-3)8-7-9-17(15)20-13-14/h7-9,14H,4-6,10-13H2,1-3H3
InChIKeyVAEQDEJISQYQNF-UHFFFAOYSA-N
XLogP3.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl] 2,2-dimethylpropanoate;hydrobromide
CID 14330508
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine
CID 10336715
5-prop-1-en-2-yl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 19028213
methyl 3-(dipropylamino)-3,4-dihydro-2H-chromene-5-carboxylate
CID 19028093
(3R)-5-methoxy-N-propan-2-yl-N-propyl-3,4-dihydro-2H-chromen-3-amine
CID 10563531
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine;hydrochloride
CID 10336714
2-[5-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]pentyl]isoindole-1,3-dione
CID 139959563
5-(5H-1,2-oxazol-2-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 54110827
4-fluoro-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide
CID 10319624
[3-(dipropylamino)-3,4-dihydro-2H-chromen-5-yl]-(2-fluorophenyl)methanone
CID 18982031
5-(4-methyl-1,2-oxazol-5-yl)-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 18933170
(3S)-N,N-dibenzyl-5-methoxy-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 18739701

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 14330491) is 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)C1COc2cccc(OCC)c2C1.
What is the InChIKey of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is VAEQDEJISQYQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-10-18(11-5-2)14-12-15-16(19-6-3)8-7-9-17(15)20-13-14/h7-9,14H,4-6,10-13H2,1-3H3.
What are the key properties of 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 277.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 14330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).