[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C15H16N2O — CID 137476884

IUPAC[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@H]1OCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C15H16N2O/c16-9-15-14-4-3-11(8-12(14)5-7-18-15)13-2-1-6-17-10-13/h1-4,6,8,10,15H,5,7,9,16H2/t15-/m1/s1
InChIKeyNRIOXHHWGSGFBW-OAHLLOKOSA-N
MW240.31 g/mol
LogP2.32
Rot. Bonds2

About [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137476884) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137476884
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@H]1OCCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C15H16N2O/c16-9-15-14-4-3-11(8-12(14)5-7-18-15)13-2-1-6-17-10-13/h1-4,6,8,10,15H,5,7,9,16H2/t15-/m1/s1
InChIKeyNRIOXHHWGSGFBW-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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Related Compounds

tert-butyl N-[[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate;[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;[(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 161079764
tert-butyl N-[[(1R)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137476970
[(1R)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460650
[(1S)-7-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460556
bis(N-methyl-1-(5-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine);(5-phenyl-3,4-dihydro-1H-isochromen-1-yl)methanamine;(5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 167625946
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
N-methyl-1-[(1R)-6-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460411
N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460178
[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460707
N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460330
N-methyl-1-[(1R)-6-pyridazin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460827
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437

Frequently Asked Questions

What is the IUPAC name of [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137476884) is [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is NC[C@H]1OCCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is NRIOXHHWGSGFBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16N2O/c16-9-15-14-4-3-11(8-12(14)5-7-18-15)13-2-1-6-17-10-13/h1-4,6,8,10,15H,5,7,9,16H2/t15-/m1/s1.
What are the key properties of [(1S)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
[(1S)-6-pyridin-3-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)-6-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137476884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).