4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine

C14H17N3O — CID 79589171

IUPAC4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine
SMILESCc1cccnc1Oc1cc(N(C)C)ccc1N
InChIInChI=1S/C14H17N3O/c1-10-5-4-8-16-14(10)18-13-9-11(17(2)3)6-7-12(13)15/h4-9H,15H2,1-3H3
InChIKeyPVBWSUYXISOISJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds3

About 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine

4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine (PubChem CID 79589171) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine
PubChem CID79589171
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine
SMILESCc1cccnc1Oc1cc(N(C)C)ccc1N
InChIInChI=1S/C14H17N3O/c1-10-5-4-8-16-14(10)18-13-9-11(17(2)3)6-7-12(13)15/h4-9H,15H2,1-3H3
InChIKeyPVBWSUYXISOISJ-UHFFFAOYSA-N
XLogP2.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine (CID 79589171) is 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine is Cc1cccnc1Oc1cc(N(C)C)ccc1N.
What is the InChIKey of 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine?
The InChIKey is PVBWSUYXISOISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-5-4-8-16-14(10)18-13-9-11(17(2)3)6-7-12(13)15/h4-9H,15H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine?
4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine is sourced from PubChem (CID 79589171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).