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

C16H18N2O — CID 137460178

IUPACN-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCCc2c(-c3cccnc3)cccc21
InChIInChI=1S/C16H18N2O/c1-17-11-16-15-6-2-5-13(14(15)7-9-19-16)12-4-3-8-18-10-12/h2-6,8,10,16-17H,7,9,11H2,1H3/t16-/m0/s1
InChIKeyDQOWUSBPSFITII-INIZCTEOSA-N
MW254.33 g/mol
LogP2.58
Rot. Bonds3

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

N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (PubChem CID 137460178) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
PubChem CID137460178
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine
SMILESCNC[C@@H]1OCCc2c(-c3cccnc3)cccc21
InChIInChI=1S/C16H18N2O/c1-17-11-16-15-6-2-5-13(14(15)7-9-19-16)12-4-3-8-18-10-12/h2-6,8,10,16-17H,7,9,11H2,1H3/t16-/m0/s1
InChIKeyDQOWUSBPSFITII-INIZCTEOSA-N
XLogP2.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-methyl-1-(5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl)methanamine;hydrochloride
CID 137460383
N-methyl-1-[(1R)-5-pyrimidin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460474
1-[(1S)-5-(2,6-dimethyl-4-pyridinyl)-3,4-dihydro-1H-isochromen-1-yl]-N-methylmethanamine;hydrochloride
CID 156579260
N-methyl-1-[5-(1,2-oxazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460481
N-methyl-1-[(1R)-5-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 137460565
N-methyl-1-[(1R)-5-(1,3-oxazol-2-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460821
N-methyl-1-(6-pyrazin-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methanamine
CID 137460135
N-methyl-1-[(1R)-5-pyridin-2-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460678
N-methyl-1-[(1S)-5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 171496662
methyl N-[[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]carbamate
CID 137460155
N-methyl-1-[(1S)-5-(1,2-oxazol-3-yl)-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460397

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The IUPAC name of N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine (CID 137460178) is N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine.
What is the SMILES notation for N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The canonical SMILES for N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is CNC[C@@H]1OCCc2c(-c3cccnc3)cccc21.
What is the InChIKey of N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
The InChIKey is DQOWUSBPSFITII-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-11-16-15-6-2-5-13(14(15)7-9-19-16)12-4-3-8-18-10-12/h2-6,8,10,16-17H,7,9,11H2,1H3/t16-/m0/s1.
What are the key properties of N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine?
N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine has a molecular weight of 254.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R)-5-pyridin-3-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine is sourced from PubChem (CID 137460178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).