N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine

C15H16N2O3 — CID 60776828

IUPACN-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2cccc3c2OCO3)ccn1
InChIInChI=1S/C15H16N2O3/c1-18-14-7-11(5-6-17-14)8-16-9-12-3-2-4-13-15(12)20-10-19-13/h2-7,16H,8-10H2,1H3
InChIKeyNLLZXARDQPOPDA-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine

N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine (PubChem CID 60776828) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
PubChem CID60776828
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2cccc3c2OCO3)ccn1
InChIInChI=1S/C15H16N2O3/c1-18-14-7-11(5-6-17-14)8-16-9-12-3-2-4-13-15(12)20-10-19-13/h2-7,16H,8-10H2,1H3
InChIKeyNLLZXARDQPOPDA-UHFFFAOYSA-N
XLogP2.11
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760753
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
N-(1,3-benzodioxol-4-ylmethyl)-1-[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methanamine
CID 163366697
2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
CID 62733708
N-(1,3-benzodioxol-4-ylmethyl)-1-(furan-3-yl)methanamine
CID 60980403
N-(1,3-benzodioxol-4-ylmethyl)-1-[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanamine
CID 163366991
1-(1,3-benzodioxol-4-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897096
N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
CID 80700524
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-methylphenyl)methyl]methanamine
CID 115556709
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
1-(2-methoxy-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 79267784

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine (CID 60776828) is N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine is COc1cc(CNCc2cccc3c2OCO3)ccn1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
The InChIKey is NLLZXARDQPOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-18-14-7-11(5-6-17-14)8-16-9-12-3-2-4-13-15(12)20-10-19-13/h2-7,16H,8-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine?
N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine has a molecular weight of 272.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 60776828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).