N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine

C23H24N2O2 — CID 70077368

IUPACN-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine
SMILESCOc1ccc(-c2cncc(CN(C)C3OCCc4ccccc43)c2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(23-22-6-4-3-5-19(22)11-12-27-23)16-17-13-20(15-24-14-17)18-7-9-21(26-2)10-8-18/h3-10,13-15,23H,11-12,16H2,1-2H3
InChIKeyRPBLIFXYWCCOBC-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.46
Rot. Bonds5

About N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine

N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine (PubChem CID 70077368) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine
PubChem CID70077368
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine
SMILESCOc1ccc(-c2cncc(CN(C)C3OCCc4ccccc43)c2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(23-22-6-4-3-5-19(22)11-12-27-23)16-17-13-20(15-24-14-17)18-7-9-21(26-2)10-8-18/h3-10,13-15,23H,11-12,16H2,1-2H3
InChIKeyRPBLIFXYWCCOBC-UHFFFAOYSA-N
XLogP4.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine (CID 70077368) is N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine is COc1ccc(-c2cncc(CN(C)C3OCCc4ccccc43)c2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
The InChIKey is RPBLIFXYWCCOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-25(23-22-6-4-3-5-19(22)11-12-27-23)16-17-13-20(15-24-14-17)18-7-9-21(26-2)10-8-18/h3-10,13-15,23H,11-12,16H2,1-2H3.
What are the key properties of N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine?
N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine has a molecular weight of 360.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-3-pyridinyl]methyl]-N-methyl-3,4-dihydro-1H-isochromen-1-amine is sourced from PubChem (CID 70077368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).