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

C21H23N3O2 — CID 134143337

IUPAC2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCOc1ccccc1NCc1cccc(CNc2ccccc2OC)n1
InChIInChI=1S/C21H23N3O2/c1-25-20-12-5-3-10-18(20)22-14-16-8-7-9-17(24-16)15-23-19-11-4-6-13-21(19)26-2/h3-13,22-23H,14-15H2,1-2H3
InChIKeyXTPQTGRQSAYRQA-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.32
Rot. Bonds8

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

2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 134143337) 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]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID134143337
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCOc1ccccc1NCc1cccc(CNc2ccccc2OC)n1
InChIInChI=1S/C21H23N3O2/c1-25-20-12-5-3-10-18(20)22-14-16-8-7-9-17(24-16)15-23-19-11-4-6-13-21(19)26-2/h3-13,22-23H,14-15H2,1-2H3
InChIKeyXTPQTGRQSAYRQA-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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Related Compounds

1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 14198545
2,6-Bis(phenoxymethyl)pyridine
CID 607867
[(6-Methoxypyridin-2-yl)methyl](methyl)amine
CID 58863294
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
N-cyano-N'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971026
N-cyano-N'-[3-[4-(2-(111C)methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 168271101
N-isopropyl-N'-(2-methoxyphenyl)-N-(1-pyridin-2-ylethyl)thiourea
CID 4103199
1-(2-Methoxy-phenyl)-4-[5-(2-methoxy-phenyl)-1H-pyrrol-2-ylmethyl]-piperazine
CID 14198549
1-[5-(2,6-Difluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198550
2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline
CID 16664222
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline (CID 134143337) is 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline is COc1ccccc1NCc1cccc(CNc2ccccc2OC)n1.
What is the InChIKey of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is XTPQTGRQSAYRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-25-20-12-5-3-10-18(20)22-14-16-8-7-9-17(24-16)15-23-19-11-4-6-13-21(19)26-2/h3-13,22-23H,14-15H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline?
2-methoxy-N-[[6-[(2-methoxyanilino)methyl]-2-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]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 134143337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).