8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

C14H21NO — CID 43512680

IUPAC8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2c(CC)cccc21
InChIInChI=1S/C14H21NO/c1-3-9-15-13-8-10-16-14-11(4-2)6-5-7-12(13)14/h5-7,13,15H,3-4,8-10H2,1-2H3
InChIKeyDTKJYORWQUDIGT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds4

About 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43512680) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID43512680
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2c(CC)cccc21
InChIInChI=1S/C14H21NO/c1-3-9-15-13-8-10-16-14-11(4-2)6-5-7-12(13)14/h5-7,13,15H,3-4,8-10H2,1-2H3
InChIKeyDTKJYORWQUDIGT-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 43512680) is 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CCOc2c(CC)cccc21.
What is the InChIKey of 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DTKJYORWQUDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-9-15-13-8-10-16-14-11(4-2)6-5-7-12(13)14/h5-7,13,15H,3-4,8-10H2,1-2H3.
What are the key properties of 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43512680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).