4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine

C14H17N3 — CID 113367573

IUPAC4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
SMILESCc1ccccc1CN(C)c1ccnc(N)c1
InChIInChI=1S/C14H17N3/c1-11-5-3-4-6-12(11)10-17(2)13-7-8-16-14(15)9-13/h3-9H,10H2,1-2H3,(H2,15,16)
InChIKeyBLPUGRDEJSVCDS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.61
Rot. Bonds3

About 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine

4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine (PubChem CID 113367573) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
PubChem CID113367573
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine
SMILESCc1ccccc1CN(C)c1ccnc(N)c1
InChIInChI=1S/C14H17N3/c1-11-5-3-4-6-12(11)10-17(2)13-7-8-16-14(15)9-13/h3-9H,10H2,1-2H3,(H2,15,16)
InChIKeyBLPUGRDEJSVCDS-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000471
3-N-methyl-3-N-[(2-methylphenyl)methyl]-5-nitrobenzene-1,3-diamine
CID 80794592
4-N-methyl-4-N-[(2-methylphenyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747324
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 62286232
3-[methyl-[(2-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62971238
[2-[methyl-[(2-methylphenyl)methyl]amino]-4-pyridinyl]methanol
CID 61411894
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
N-methyl-N-[(2-methylphenyl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287039
4-methyl-3-[(N-methylanilino)methyl]aniline
CID 82128220

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine (CID 113367573) is 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine is Cc1ccccc1CN(C)c1ccnc(N)c1.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine?
The InChIKey is BLPUGRDEJSVCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-5-3-4-6-12(11)10-17(2)13-7-8-16-14(15)9-13/h3-9H,10H2,1-2H3,(H2,15,16).
What are the key properties of 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine?
4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 113367573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).