N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine

C15H19N3 — CID 114991327

IUPACN-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
SMILESCc1ccc(N(C)C(CN)c2ccccn2)cc1
InChIInChI=1S/C15H19N3/c1-12-6-8-13(9-7-12)18(2)15(11-16)14-5-3-4-10-17-14/h3-10,15H,11,16H2,1-2H3
InChIKeyRAFUSEGAPVCIID-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine

N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine (PubChem CID 114991327) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
PubChem CID114991327
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
SMILESCc1ccc(N(C)C(CN)c2ccccn2)cc1
InChIInChI=1S/C15H19N3/c1-12-6-8-13(9-7-12)18(2)15(11-16)14-5-3-4-10-17-14/h3-10,15H,11,16H2,1-2H3
InChIKeyRAFUSEGAPVCIID-UHFFFAOYSA-N
XLogP2.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine
CID 61076742
2-[(2-amino-1-pyridin-2-ylethyl)-methylamino]propan-1-ol
CID 104551342
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
2-pyridin-2-ylpropan-1-amine
CID 21481533
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethanamine
CID 93312466
N,N-bis(2-ethoxyethyl)-1-pyridin-2-ylethane-1,2-diamine
CID 82965174
N-butan-2-yl-N-butyl-1-pyridin-2-ylethane-1,2-diamine
CID 55004964
N-methyl-N-phenyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967659
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
N-methyl-N-(4-methylphenyl)pyridin-2-amine
CID 89072599
1-[4-(dimethylamino)phenyl]-N-methyl-N-phenylethane-1,2-diamine
CID 16793153

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine (CID 114991327) is N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine is Cc1ccc(N(C)C(CN)c2ccccn2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
The InChIKey is RAFUSEGAPVCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-6-8-13(9-7-12)18(2)15(11-16)14-5-3-4-10-17-14/h3-10,15H,11,16H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine?
N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-1-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 114991327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).