[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

C15H16N2O — CID 137460177

IUPAC[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@@H]1OCCc2c(-c3ccccn3)cccc21
InChIInChI=1S/C15H16N2O/c16-10-15-13-5-3-4-12(11(13)7-9-18-15)14-6-1-2-8-17-14/h1-6,8,15H,7,9-10,16H2/t15-/m0/s1
InChIKeyGZHLNPAGWJMQTA-HNNXBMFYSA-N
MW240.31 g/mol
LogP2.32
Rot. Bonds2

About [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine

[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137460177) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137460177
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESNC[C@@H]1OCCc2c(-c3ccccn3)cccc21
InChIInChI=1S/C15H16N2O/c16-10-15-13-5-3-4-12(11(13)7-9-18-15)14-6-1-2-8-17-14/h1-6,8,15H,7,9-10,16H2/t15-/m0/s1
InChIKeyGZHLNPAGWJMQTA-HNNXBMFYSA-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

(6-pyridin-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methanamine;hydrochloride
CID 137460486
[(1R)-5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460553
N-methyl-1-[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460678
(5-pyrimidin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460198
[(1S)-5-(1,3-oxazol-4-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460421
N-methyl-1-[(1S)-6-pyridin-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]methanamine
CID 137460622
[(1S)-5-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460683
[5-(1,3-oxazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460302
[5-(1H-imidazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460361
[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460707
[(1R)-5-[2-(trifluoromethyl)-4-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496743
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137460177) is [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is NC[C@@H]1OCCc2c(-c3ccccn3)cccc21.
What is the InChIKey of [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is GZHLNPAGWJMQTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-10-15-13-5-3-4-12(11(13)7-9-18-15)14-6-1-2-8-17-14/h1-6,8,15H,7,9-10,16H2/t15-/m0/s1.
What are the key properties of [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
[(1R)-5-pyridin-2-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 [(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137460177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).