8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C16H24N2O — CID 82188064

IUPAC8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc2c1OCC(CN1CCCC1)C2N
InChIInChI=1S/C16H24N2O/c1-2-12-6-5-7-14-15(17)13(11-19-16(12)14)10-18-8-3-4-9-18/h5-7,13,15H,2-4,8-11,17H2,1H3
InChIKeyLZECZDMGXSKAER-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds3

About 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188064) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188064
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc2c1OCC(CN1CCCC1)C2N
InChIInChI=1S/C16H24N2O/c1-2-12-6-5-7-14-15(17)13(11-19-16(12)14)10-18-8-3-4-9-18/h5-7,13,15H,2-4,8-11,17H2,1H3
InChIKeyLZECZDMGXSKAER-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-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 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188064) is 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is CCc1cccc2c1OCC(CN1CCCC1)C2N.
What is the InChIKey of 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LZECZDMGXSKAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-12-6-5-7-14-15(17)13(11-19-16(12)14)10-18-8-3-4-9-18/h5-7,13,15H,2-4,8-11,17H2,1H3.
What are the key properties of 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).