3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

C14H20N2O2 — CID 103532291

IUPAC3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOC1CCN(C2COc3ccccc3C2N)C1
InChIInChI=1S/C14H20N2O2/c1-17-10-6-7-16(8-10)12-9-18-13-5-3-2-4-11(13)14(12)15/h2-5,10,12,14H,6-9,15H2,1H3
InChIKeyZMTRJQOMWJFRMR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.17
Rot. Bonds2

About 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine

3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103532291) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID103532291
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOC1CCN(C2COc3ccccc3C2N)C1
InChIInChI=1S/C14H20N2O2/c1-17-10-6-7-16(8-10)12-9-18-13-5-3-2-4-11(13)14(12)15/h2-5,10,12,14H,6-9,15H2,1H3
InChIKeyZMTRJQOMWJFRMR-UHFFFAOYSA-N
XLogP1.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine (CID 103532291) is 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is COC1CCN(C2COc3ccccc3C2N)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZMTRJQOMWJFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-10-6-7-16(8-10)12-9-18-13-5-3-2-4-11(13)14(12)15/h2-5,10,12,14H,6-9,15H2,1H3.
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine?
3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103532291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).