1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine

C15H22N2O2 — CID 107150004

IUPAC1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C2COCc3ccccc32)CCO1
InChIInChI=1S/C15H22N2O2/c1-11(16)15-8-17(6-7-19-15)14-10-18-9-12-4-2-3-5-13(12)14/h2-5,11,14-15H,6-10,16H2,1H3
InChIKeySUGADRYBWICLIC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.31
Rot. Bonds2

About 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine

1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine (PubChem CID 107150004) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine
PubChem CID107150004
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine
SMILESCC(N)C1CN(C2COCc3ccccc32)CCO1
InChIInChI=1S/C15H22N2O2/c1-11(16)15-8-17(6-7-19-15)14-10-18-9-12-4-2-3-5-13(12)14/h2-5,11,14-15H,6-10,16H2,1H3
InChIKeySUGADRYBWICLIC-UHFFFAOYSA-N
XLogP1.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine?
The IUPAC name of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine (CID 107150004) is 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine is CC(N)C1CN(C2COCc3ccccc32)CCO1.
What is the InChIKey of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine?
The InChIKey is SUGADRYBWICLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)15-8-17(6-7-19-15)14-10-18-9-12-4-2-3-5-13(12)14/h2-5,11,14-15H,6-10,16H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine?
1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 107150004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).