5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine

C14H17N3O — CID 80730531

IUPAC5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)Cc2ccncc2)c1
InChIInChI=1S/C14H17N3O/c1-17(10-11-3-5-16-6-4-11)13-7-12(15)8-14(9-13)18-2/h3-9H,10,15H2,1-2H3
InChIKeyLAYBEQMFDKVBQC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.31
Rot. Bonds4

About 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine

5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine (PubChem CID 80730531) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
PubChem CID80730531
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(N(C)Cc2ccncc2)c1
InChIInChI=1S/C14H17N3O/c1-17(10-11-3-5-16-6-4-11)13-7-12(15)8-14(9-13)18-2/h3-9H,10,15H2,1-2H3
InChIKeyLAYBEQMFDKVBQC-UHFFFAOYSA-N
XLogP2.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
3-N,3-N-dibenzyl-5-methoxybenzene-1,3-diamine
CID 130162823
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 81299898
3-methoxy-5-pyridin-4-ylaniline
CID 71490877
3-(3-amino-5-methoxy-N-methylanilino)propanenitrile
CID 80726034
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
pyridin-4-ylmethyl 3-amino-5-methoxybenzoate
CID 81091463
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine (CID 80730531) is 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine is COc1cc(N)cc(N(C)Cc2ccncc2)c1.
What is the InChIKey of 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
The InChIKey is LAYBEQMFDKVBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(10-11-3-5-16-6-4-11)13-7-12(15)8-14(9-13)18-2/h3-9H,10,15H2,1-2H3.
What are the key properties of 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine?
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 80730531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).