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

C14H17N3 — CID 114698439

IUPAC2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
SMILESCc1cc(NCc2ccncc2C)ccc1N
InChIInChI=1S/C14H17N3/c1-10-7-13(3-4-14(10)15)17-9-12-5-6-16-8-11(12)2/h3-8,17H,9,15H2,1-2H3
InChIKeyJLIMUQJDQSWDNK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.89
Rot. Bonds3

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

2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine (PubChem CID 114698439) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
PubChem CID114698439
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
SMILESCc1cc(NCc2ccncc2C)ccc1N
InChIInChI=1S/C14H17N3/c1-10-7-13(3-4-14(10)15)17-9-12-5-6-16-8-11(12)2/h3-8,17H,9,15H2,1-2H3
InChIKeyJLIMUQJDQSWDNK-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,3-diamine
CID 114698467
2-amino-5-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698297
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114954565
5,14-bis[(3-methyl-4-pyridinyl)methylamino]-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-one
CID 67412619
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine (CID 114698439) is 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine is Cc1cc(NCc2ccncc2C)ccc1N.
What is the InChIKey of 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine?
The InChIKey is JLIMUQJDQSWDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-13(3-4-14(10)15)17-9-12-5-6-16-8-11(12)2/h3-8,17H,9,15H2,1-2H3.
What are the key properties of 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine?
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 114698439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).