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

C14H17N3 — CID 43524351

IUPAC4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCc1ccc(NC(C)c2ccccn2)c(N)c1
InChIInChI=1S/C14H17N3/c1-10-6-7-14(12(15)9-10)17-11(2)13-5-3-4-8-16-13/h3-9,11,17H,15H2,1-2H3
InChIKeyWKZYGJACILBGJO-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.15
Rot. Bonds3

About 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine

4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine (PubChem CID 43524351) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
PubChem CID43524351
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESCc1ccc(NC(C)c2ccccn2)c(N)c1
InChIInChI=1S/C14H17N3/c1-10-6-7-14(12(15)9-10)17-11(2)13-5-3-4-8-16-13/h3-9,11,17H,15H2,1-2H3
InChIKeyWKZYGJACILBGJO-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.15
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

4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
5-methyl-2-N-(1-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 83266097
2-nitro-3-N-(1-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80782253
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine (CID 43524351) is 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine is Cc1ccc(NC(C)c2ccccn2)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
The InChIKey is WKZYGJACILBGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-6-7-14(12(15)9-10)17-11(2)13-5-3-4-8-16-13/h3-9,11,17H,15H2,1-2H3.
What are the key properties of 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine?
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 43524351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).