(1-methyl-3,4-dihydroisochromen-1-yl)methanamine

C11H15NO — CID 131258352

IUPAC(1-methyl-3,4-dihydroisochromen-1-yl)methanamine
SMILESCC1(CN)OCCc2ccccc21
InChIInChI=1S/C11H15NO/c1-11(8-12)10-5-3-2-4-9(10)6-7-13-11/h2-5H,6-8,12H2,1H3
InChIKeyIRCNHRUFYOZNBH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.43
Rot. Bonds1

About (1-methyl-3,4-dihydroisochromen-1-yl)methanamine

(1-methyl-3,4-dihydroisochromen-1-yl)methanamine (PubChem CID 131258352) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1-methyl-3,4-dihydroisochromen-1-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3,4-dihydroisochromen-1-yl)methanamine
PubChem CID131258352
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1-methyl-3,4-dihydroisochromen-1-yl)methanamine
SMILESCC1(CN)OCCc2ccccc21
InChIInChI=1S/C11H15NO/c1-11(8-12)10-5-3-2-4-9(10)6-7-13-11/h2-5H,6-8,12H2,1H3
InChIKeyIRCNHRUFYOZNBH-UHFFFAOYSA-N
XLogP1.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,4-dihydroisochromen-1-yl)methanamine?
The IUPAC name of (1-methyl-3,4-dihydroisochromen-1-yl)methanamine (CID 131258352) is (1-methyl-3,4-dihydroisochromen-1-yl)methanamine.
What is the SMILES notation for (1-methyl-3,4-dihydroisochromen-1-yl)methanamine?
The canonical SMILES for (1-methyl-3,4-dihydroisochromen-1-yl)methanamine is CC1(CN)OCCc2ccccc21.
What is the InChIKey of (1-methyl-3,4-dihydroisochromen-1-yl)methanamine?
The InChIKey is IRCNHRUFYOZNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(8-12)10-5-3-2-4-9(10)6-7-13-11/h2-5H,6-8,12H2,1H3.
What are the key properties of (1-methyl-3,4-dihydroisochromen-1-yl)methanamine?
(1-methyl-3,4-dihydroisochromen-1-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,4-dihydroisochromen-1-yl)methanamine is sourced from PubChem (CID 131258352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).