N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C12H17NO — CID 134208216

IUPACN-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@H]1OCCc2cccc(C)c21
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10-6-7-14-11(8-13-2)12(9)10/h3-5,11,13H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyJNCXWMDZRMLGHP-LLVKDONJSA-N
MW191.27 g/mol
LogP1.83
Rot. Bonds2

About N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine

N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 134208216) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID134208216
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@H]1OCCc2cccc(C)c21
InChIInChI=1S/C12H17NO/c1-9-4-3-5-10-6-7-14-11(8-13-2)12(9)10/h3-5,11,13H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyJNCXWMDZRMLGHP-LLVKDONJSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 134208216) is N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine is CNC[C@H]1OCCc2cccc(C)c21.
What is the InChIKey of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is JNCXWMDZRMLGHP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-3-5-10-6-7-14-11(8-13-2)12(9)10/h3-5,11,13H,6-8H2,1-2H3/t11-/m1/s1.
What are the key properties of N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 134208216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).