3-(2-phenylethyl)pyridine-2,4-diamine

C13H15N3 — CID 158167465

IUPAC3-(2-phenylethyl)pyridine-2,4-diamine
SMILESNc1ccnc(N)c1CCc1ccccc1
InChIInChI=1S/C13H15N3/c14-12-8-9-16-13(15)11(12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H4,14,15,16)
InChIKeyFXAHQHYKAWWPKR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.03
Rot. Bonds3

About 3-(2-phenylethyl)pyridine-2,4-diamine

3-(2-phenylethyl)pyridine-2,4-diamine (PubChem CID 158167465) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(2-phenylethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name3-(2-phenylethyl)pyridine-2,4-diamine
PubChem CID158167465
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(2-phenylethyl)pyridine-2,4-diamine
SMILESNc1ccnc(N)c1CCc1ccccc1
InChIInChI=1S/C13H15N3/c14-12-8-9-16-13(15)11(12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H4,14,15,16)
InChIKeyFXAHQHYKAWWPKR-UHFFFAOYSA-N
XLogP2.03
TPSA64.93 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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-iodo-5-(2-phenylethyl)pyrimidin-4-amine
CID 11001896
3-(2-pyrrolidin-1-ylethyl)pyridine-2,4-diamine
CID 67293147
benzene;2-phenylethylbenzene
CID 18982764
4-oxido-3-(2-phenylethyl)pyrazin-4-ium-2-amine
CID 142786224
4-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 158413024
hafnium;2-phenylethylbenzene
CID 173109801
4-azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine
CID 172544215
3-N-methyl-3-N-(2-phenylethyl)pyrazine-2,3-diamine
CID 113228940
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
3-iodo-2-phenylmethoxypyridin-4-amine
CID 127263634
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)pyridine-2,4-diamine?
The IUPAC name of 3-(2-phenylethyl)pyridine-2,4-diamine (CID 158167465) is 3-(2-phenylethyl)pyridine-2,4-diamine.
What is the SMILES notation for 3-(2-phenylethyl)pyridine-2,4-diamine?
The canonical SMILES for 3-(2-phenylethyl)pyridine-2,4-diamine is Nc1ccnc(N)c1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)pyridine-2,4-diamine?
The InChIKey is FXAHQHYKAWWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-12-8-9-16-13(15)11(12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H4,14,15,16).
What are the key properties of 3-(2-phenylethyl)pyridine-2,4-diamine?
3-(2-phenylethyl)pyridine-2,4-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)pyridine-2,4-diamine is sourced from PubChem (CID 158167465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).