N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine

C23H24N2O3 — CID 46970550

IUPACN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine
SMILESCOc1cc(CNC(c2ccc(C)cc2)c2cccnc2)cc2c1OCCO2
InChIInChI=1S/C23H24N2O3/c1-16-5-7-18(8-6-16)22(19-4-3-9-24-15-19)25-14-17-12-20(26-2)23-21(13-17)27-10-11-28-23/h3-9,12-13,15,22,25H,10-11,14H2,1-2H3
InChIKeyGAYKTLAZRUCFPO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.05
Rot. Bonds6

About N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine

N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine (PubChem CID 46970550) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine
PubChem CID46970550
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine
SMILESCOc1cc(CNC(c2ccc(C)cc2)c2cccnc2)cc2c1OCCO2
InChIInChI=1S/C23H24N2O3/c1-16-5-7-18(8-6-16)22(19-4-3-9-24-15-19)25-14-17-12-20(26-2)23-21(13-17)27-10-11-28-23/h3-9,12-13,15,22,25H,10-11,14H2,1-2H3
InChIKeyGAYKTLAZRUCFPO-UHFFFAOYSA-N
XLogP4.05
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine with MolForge

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Related Compounds

(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 95586358
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]propan-2-amine
CID 60657642
(1S)-N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951106
(1R)-1-(3,4-difluorophenyl)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 41117256
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841336
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115623172
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598633
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106415510
2-bromo-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyridin-3-amine
CID 104819771
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60590247
(2R)-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-phenylpropanoic acid
CID 99796454

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine (CID 46970550) is N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine is COc1cc(CNC(c2ccc(C)cc2)c2cccnc2)cc2c1OCCO2.
What is the InChIKey of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine?
The InChIKey is GAYKTLAZRUCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-5-7-18(8-6-16)22(19-4-3-9-24-15-19)25-14-17-12-20(26-2)23-21(13-17)27-10-11-28-23/h3-9,12-13,15,22,25H,10-11,14H2,1-2H3.
What are the key properties of N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine?
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine has a molecular weight of 376.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(4-methylphenyl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 46970550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).