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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).