2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine

C15H19N3 — CID 115550226

IUPAC2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1ccncc1)c1c(C)cccc1N
InChIInChI=1S/C15H19N3/c1-3-18(11-13-7-9-17-10-8-13)15-12(2)5-4-6-14(15)16/h4-10H,3,11,16H2,1-2H3
InChIKeyOGJZPMOAUKCUFT-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.00
Rot. Bonds4

About 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine

2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine (PubChem CID 115550226) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
PubChem CID115550226
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1ccncc1)c1c(C)cccc1N
InChIInChI=1S/C15H19N3/c1-3-18(11-13-7-9-17-10-8-13)15-12(2)5-4-6-14(15)16/h4-10H,3,11,16H2,1-2H3
InChIKeyOGJZPMOAUKCUFT-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-methylbenzene-1,2-diamine
CID 113333708
2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
CID 28983511
2-N-ethyl-3-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 115550334
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
3-chloro-2-N-ethyl-2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587735
3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
CID 115550305
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,5-diamine
CID 62476714
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine (CID 115550226) is 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine is CCN(Cc1ccncc1)c1c(C)cccc1N.
What is the InChIKey of 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
The InChIKey is OGJZPMOAUKCUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18(11-13-7-9-17-10-8-13)15-12(2)5-4-6-14(15)16/h4-10H,3,11,16H2,1-2H3.
What are the key properties of 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 115550226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).