7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C16H24N2O2 — CID 82188120

IUPAC7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1C)OCC(CN1CCOCC1)C2N
InChIInChI=1S/C16H24N2O2/c1-11-3-4-14-15(17)13(10-20-16(14)12(11)2)9-18-5-7-19-8-6-18/h3-4,13,15H,5-10,17H2,1-2H3
InChIKeyKHWVSBUQHYEEJF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.64
Rot. Bonds2

About 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188120) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188120
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1C)OCC(CN1CCOCC1)C2N
InChIInChI=1S/C16H24N2O2/c1-11-3-4-14-15(17)13(10-20-16(14)12(11)2)9-18-5-7-19-8-6-18/h3-4,13,15H,5-10,17H2,1-2H3
InChIKeyKHWVSBUQHYEEJF-UHFFFAOYSA-N
XLogP1.64
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188120) is 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1C)OCC(CN1CCOCC1)C2N.
What is the InChIKey of 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KHWVSBUQHYEEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-3-4-14-15(17)13(10-20-16(14)12(11)2)9-18-5-7-19-8-6-18/h3-4,13,15H,5-10,17H2,1-2H3.
What are the key properties of 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 276.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).