2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline

C21H23N3O2 — CID 134148748

IUPAC2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(CNc2ccccc2OC)nc1
InChIInChI=1S/C21H23N3O2/c1-25-20-9-5-3-7-18(20)23-14-16-11-12-17(22-13-16)15-24-19-8-4-6-10-21(19)26-2/h3-13,23-24H,14-15H2,1-2H3
InChIKeyOJXIESYYQDCOEW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds8

About 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline

2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline (PubChem CID 134148748) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
PubChem CID134148748
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(CNc2ccccc2OC)nc1
InChIInChI=1S/C21H23N3O2/c1-25-20-9-5-3-7-18(20)23-14-16-11-12-17(22-13-16)15-24-19-8-4-6-10-21(19)26-2/h3-13,23-24H,14-15H2,1-2H3
InChIKeyOJXIESYYQDCOEW-UHFFFAOYSA-N
XLogP4.32
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline (CID 134148748) is 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline is COc1ccccc1NCc1ccc(CNc2ccccc2OC)nc1.
What is the InChIKey of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
The InChIKey is OJXIESYYQDCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-20-9-5-3-7-18(20)23-14-16-11-12-17(22-13-16)15-24-19-8-4-6-10-21(19)26-2/h3-13,23-24H,14-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline?
2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline has a molecular weight of 349.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 134148748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).