5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine

C14H17N3 — CID 112646911

IUPAC5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NCCc2ccccn2)c1
InChIInChI=1S/C14H17N3/c1-11-8-12(15)10-14(9-11)17-7-5-13-4-2-3-6-16-13/h2-4,6,8-10,17H,5,7,15H2,1H3
InChIKeyIKNWNOCNNZNIPO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.63
Rot. Bonds4

About 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine

5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine (PubChem CID 112646911) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
PubChem CID112646911
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NCCc2ccccn2)c1
InChIInChI=1S/C14H17N3/c1-11-8-12(15)10-14(9-11)17-7-5-13-4-2-3-6-16-13/h2-4,6,8-10,17H,5,7,15H2,1H3
InChIKeyIKNWNOCNNZNIPO-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749
5-methyl-N-(2-pyridin-2-ylethyl)pyridazin-3-amine
CID 106549424
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 78929798
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 43554009

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine (CID 112646911) is 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine is Cc1cc(N)cc(NCCc2ccccn2)c1.
What is the InChIKey of 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
The InChIKey is IKNWNOCNNZNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-12(15)10-14(9-11)17-7-5-13-4-2-3-6-16-13/h2-4,6,8-10,17H,5,7,15H2,1H3.
What are the key properties of 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine?
5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine is sourced from PubChem (CID 112646911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).