N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine

C14H17N3 — CID 60870792

IUPACN-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N3/c1-10-4-3-5-14(16-10)17-11(2)12-6-8-13(15)9-7-12/h3-9,11H,15H2,1-2H3,(H,16,17)
InChIKeyKFRKIDHJJWCBQS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine

N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine (PubChem CID 60870792) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
PubChem CID60870792
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)c2ccc(N)cc2)n1
InChIInChI=1S/C14H17N3/c1-10-4-3-5-14(16-10)17-11(2)12-6-8-13(15)9-7-12/h3-9,11H,15H2,1-2H3,(H,16,17)
InChIKeyKFRKIDHJJWCBQS-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine (CID 60870792) is N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine is Cc1cccc(NC(C)c2ccc(N)cc2)n1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine?
The InChIKey is KFRKIDHJJWCBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-4-3-5-14(16-10)17-11(2)12-6-8-13(15)9-7-12/h3-9,11H,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine?
N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine 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 N-[1-(4-aminophenyl)ethyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 60870792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).