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

C14H17N3 — CID 54948094

IUPAC2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1ccncc1)c1ccccc1N
InChIInChI=1S/C14H17N3/c1-2-17(11-12-7-9-16-10-8-12)14-6-4-3-5-13(14)15/h3-10H,2,11,15H2,1H3
InChIKeyZPRWQRURNOAKIJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.69
Rot. Bonds4

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

2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine (PubChem CID 54948094) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
PubChem CID54948094
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
SMILESCCN(Cc1ccncc1)c1ccccc1N
InChIInChI=1S/C14H17N3/c1-2-17(11-12-7-9-16-10-8-12)14-6-4-3-5-13(14)15/h3-10H,2,11,15H2,1H3
InChIKeyZPRWQRURNOAKIJ-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.69
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-3-methyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 115550226
2-N,2-N-dibenzylbenzene-1,2-diamine
CID 23459358
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
CID 107043699
3-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 114288289
3-(aminomethyl)-N-benzyl-N-ethylpyridin-4-amine
CID 81248963
1-[2-amino-4-[ethyl(pyridin-4-ylmethyl)amino]phenyl]ethanone
CID 104528528
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
CID 60678602
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanol
CID 61448699
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine (CID 54948094) is 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine is CCN(Cc1ccncc1)c1ccccc1N.
What is the InChIKey of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
The InChIKey is ZPRWQRURNOAKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-17(11-12-7-9-16-10-8-12)14-6-4-3-5-13(14)15/h3-10H,2,11,15H2,1H3.
What are the key properties of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine?
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.69, 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-(pyridin-4-ylmethyl)benzene-1,2-diamine is sourced from PubChem (CID 54948094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).