N-[2-(4-aminophenyl)ethyl]pyridin-4-amine

C13H15N3 — CID 61220223

IUPACN-[2-(4-aminophenyl)ethyl]pyridin-4-amine
SMILESNc1ccc(CCNc2ccncc2)cc1
InChIInChI=1S/C13H15N3/c14-12-3-1-11(2-4-12)5-10-16-13-6-8-15-9-7-13/h1-4,6-9H,5,10,14H2,(H,15,16)
InChIKeyWLRXAHHWWXEZOD-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(4-aminophenyl)ethyl]pyridin-4-amine

N-[2-(4-aminophenyl)ethyl]pyridin-4-amine (PubChem CID 61220223) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]pyridin-4-amine
PubChem CID61220223
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]pyridin-4-amine
SMILESNc1ccc(CCNc2ccncc2)cc1
InChIInChI=1S/C13H15N3/c14-12-3-1-11(2-4-12)5-10-16-13-6-8-15-9-7-13/h1-4,6-9H,5,10,14H2,(H,15,16)
InChIKeyWLRXAHHWWXEZOD-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
CID 114194215
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
2-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-diamine
CID 23104838
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
CID 170212771
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119
4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80790889
4-ethoxy-N-(2-pyridin-4-ylethyl)aniline
CID 60719981
N-(2-pyridin-4-ylethyl)thiophen-3-amine
CID 66351702
N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 62531809

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]pyridin-4-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]pyridin-4-amine (CID 61220223) is N-[2-(4-aminophenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]pyridin-4-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]pyridin-4-amine is Nc1ccc(CCNc2ccncc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]pyridin-4-amine?
The InChIKey is WLRXAHHWWXEZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-12-3-1-11(2-4-12)5-10-16-13-6-8-15-9-7-13/h1-4,6-9H,5,10,14H2,(H,15,16).
What are the key properties of N-[2-(4-aminophenyl)ethyl]pyridin-4-amine?
N-[2-(4-aminophenyl)ethyl]pyridin-4-amine has a molecular weight of 213.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 61220223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).