N-[1-(3-aminophenyl)ethyl]pyridin-2-amine

C13H15N3 — CID 60869070

IUPACN-[1-(3-aminophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccccn1)c1cccc(N)c1
InChIInChI=1S/C13H15N3/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h2-10H,14H2,1H3,(H,15,16)
InChIKeyUULJKXQHGNPGCW-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]pyridin-2-amine

N-[1-(3-aminophenyl)ethyl]pyridin-2-amine (PubChem CID 60869070) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]pyridin-2-amine
PubChem CID60869070
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC NameN-[1-(3-aminophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1ccccn1)c1cccc(N)c1
InChIInChI=1S/C13H15N3/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h2-10H,14H2,1H3,(H,15,16)
InChIKeyUULJKXQHGNPGCW-UHFFFAOYSA-N
XLogP2.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.84
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

N-[1-(3-methylphenyl)ethyl]pyridin-2-amine
CID 115916909
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
CID 61240540
6-(aminomethyl)-N-[1-(3-aminophenyl)ethyl]pyridin-2-amine;formic acid
CID 171678869
1-(pyridin-2-ylamino)ethanol
CID 20521375
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66333286
N-[1-(3-aminophenyl)ethyl]-3,5-dichloropyridin-2-amine
CID 60870788
N-[1-(3-aminophenyl)ethyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386117
N-[1-[4-(1-phenylpropan-2-yl)phenyl]ethyl]pyridin-2-amine
CID 160750901
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
N-[(3S)-2,2,4-trimethylpentan-3-yl]pyridin-2-amine
CID 59533491

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]pyridin-2-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]pyridin-2-amine (CID 60869070) is N-[1-(3-aminophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]pyridin-2-amine is CC(Nc1ccccn1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]pyridin-2-amine?
The InChIKey is UULJKXQHGNPGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h2-10H,14H2,1H3,(H,15,16).
What are the key properties of N-[1-(3-aminophenyl)ethyl]pyridin-2-amine?
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 60869070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).