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

C15H22N2O2 — CID 107149997

IUPAC1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C2COCc3ccccc32)CCO1
InChIInChI=1S/C15H22N2O2/c1-16-8-13-9-17(6-7-19-13)15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3
InChIKeyKZCBCYBTGFAIKY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.18
Rot. Bonds3

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

1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine (PubChem CID 107149997) 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]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine
PubChem CID107149997
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C2COCc3ccccc32)CCO1
InChIInChI=1S/C15H22N2O2/c1-16-8-13-9-17(6-7-19-13)15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3
InChIKeyKZCBCYBTGFAIKY-UHFFFAOYSA-N
XLogP1.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.18
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]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine (CID 107149997) is 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine is CNCC1CN(C2COCc3ccccc32)CCO1.
What is the InChIKey of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine?
The InChIKey is KZCBCYBTGFAIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-8-13-9-17(6-7-19-13)15-11-18-10-12-4-2-3-5-14(12)15/h2-5,13,15-16H,6-11H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine?
1-[4-(3,4-dihydro-1H-isochromen-4-yl)morpholin-2-yl]-N-methylmethanamine has a molecular weight of 262.35 g/mol, XLogP of 1.18, 3 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]-N-methylmethanamine is sourced from PubChem (CID 107149997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).