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

C15H19N3 — CID 112650618

IUPAC2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ncccc1C)c1ccccc1N
InChIInChI=1S/C15H19N3/c1-3-18(15-9-5-4-8-13(15)16)11-14-12(2)7-6-10-17-14/h4-10H,3,11,16H2,1-2H3
InChIKeyFJPMWNJYBZJZDI-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.00
Rot. Bonds4

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

2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine (PubChem CID 112650618) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
PubChem CID112650618
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1ncccc1C)c1ccccc1N
InChIInChI=1S/C15H19N3/c1-3-18(15-9-5-4-8-13(15)16)11-14-12(2)7-6-10-17-14/h4-10H,3,11,16H2,1-2H3
InChIKeyFJPMWNJYBZJZDI-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-[(2-methylphenyl)methyl]pyridine-2,3-diamine
CID 43587743
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanethioamide
CID 115981947
3-N,3-N-diethylpyridine-2,3-diamine
CID 54572211
4-N-ethyl-4-N-[(2-methylphenyl)methyl]pyridine-3,4-diamine
CID 43587748
5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine
CID 62891300
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine (CID 112650618) is 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine is CCN(Cc1ncccc1C)c1ccccc1N.
What is the InChIKey of 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
The InChIKey is FJPMWNJYBZJZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18(15-9-5-4-8-13(15)16)11-14-12(2)7-6-10-17-14/h4-10H,3,11,16H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine?
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]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-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 112650618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).