4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine

C14H17N3 — CID 113367563

IUPAC4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1ccnc(N)c1
InChIInChI=1S/C14H17N3/c1-3-17(12-6-4-5-11(2)9-12)13-7-8-16-14(15)10-13/h4-10H,3H2,1-2H3,(H2,15,16)
InChIKeyPLDGXNAYLGRMIA-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.13
Rot. Bonds3

About 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine

4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine (PubChem CID 113367563) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
PubChem CID113367563
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
SMILESCCN(c1cccc(C)c1)c1ccnc(N)c1
InChIInChI=1S/C14H17N3/c1-3-17(12-6-4-5-11(2)9-12)13-7-8-16-14(15)10-13/h4-10H,3H2,1-2H3,(H2,15,16)
InChIKeyPLDGXNAYLGRMIA-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 61076372
4-(aminomethyl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 107541695
4-N,6-N,6-N-triethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539276
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-N-ethyl-4-N-(3-methylphenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747375
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
5-N-ethyl-4-methyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-diamine
CID 103360645
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine (CID 113367563) is 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine is CCN(c1cccc(C)c1)c1ccnc(N)c1.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine?
The InChIKey is PLDGXNAYLGRMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-17(12-6-4-5-11(2)9-12)13-7-8-16-14(15)10-13/h4-10H,3H2,1-2H3,(H2,15,16).
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine?
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 113367563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).