[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C15H16N2O — CID 137460556

IUPAC[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@H]1OCCc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C15H16N2O/c16-10-15-14-9-13(11-3-6-17-7-4-11)2-1-12(14)5-8-18-15/h1-4,6-7,9,15H,5,8,10,16H2/t15-/m1/s1
InChIKeyXDKWXHYWJVWZEO-OAHLLOKOSA-N
MW240.31 g/mol
LogP2.32
Rot. Bonds2

About [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137460556) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137460556
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@H]1OCCc2ccc(-c3ccncc3)cc21
InChIInChI=1S/C15H16N2O/c16-10-15-14-9-13(11-3-6-17-7-4-11)2-1-12(14)5-8-18-15/h1-4,6-7,9,15H,5,8,10,16H2/t15-/m1/s1
InChIKeyXDKWXHYWJVWZEO-OAHLLOKOSA-N
XLogP2.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137460556) is [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is NC[C@H]1OCCc2ccc(-c3ccncc3)cc21.
What is the InChIKey of [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is XDKWXHYWJVWZEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O/c16-10-15-14-9-13(11-3-6-17-7-4-11)2-1-12(14)5-8-18-15/h1-4,6-7,9,15H,5,8,10,16H2/t15-/m1/s1.
What are the key properties of [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137460556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).