4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine

C14H17N3O — CID 113367561

IUPAC4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(NCc2cccc(OC)c2)ccn1
InChIInChI=1S/C14H17N3O/c1-15-14-9-12(6-7-16-14)17-10-11-4-3-5-13(8-11)18-2/h3-9H,10H2,1-2H3,(H2,15,16,17)
InChIKeyIMHCQVZVGDTQHO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds5

About 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine

4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine (PubChem CID 113367561) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
PubChem CID113367561
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(NCc2cccc(OC)c2)ccn1
InChIInChI=1S/C14H17N3O/c1-15-14-9-12(6-7-16-14)17-10-11-4-3-5-13(8-11)18-2/h3-9H,10H2,1-2H3,(H2,15,16,17)
InChIKeyIMHCQVZVGDTQHO-UHFFFAOYSA-N
XLogP2.74
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690444
2-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]pyridin-4-amine
CID 133374314
N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxy)pyridin-4-amine
CID 175901634
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine (CID 113367561) is 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine is CNc1cc(NCc2cccc(OC)c2)ccn1.
What is the InChIKey of 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine?
The InChIKey is IMHCQVZVGDTQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-14-9-12(6-7-16-14)17-10-11-4-3-5-13(8-11)18-2/h3-9H,10H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine?
4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 113367561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).