4-N-(2-phenylpropyl)pyridine-2,4-diamine

C14H17N3 — CID 104592493

IUPAC4-N-(2-phenylpropyl)pyridine-2,4-diamine
SMILESCC(CNc1ccnc(N)c1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-11(12-5-3-2-4-6-12)10-17-13-7-8-16-14(15)9-13/h2-9,11H,10H2,1H3,(H3,15,16,17)
InChIKeyMKMCOYRIXFWBSI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.88
Rot. Bonds4

About 4-N-(2-phenylpropyl)pyridine-2,4-diamine

4-N-(2-phenylpropyl)pyridine-2,4-diamine (PubChem CID 104592493) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-N-(2-phenylpropyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-phenylpropyl)pyridine-2,4-diamine
PubChem CID104592493
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-N-(2-phenylpropyl)pyridine-2,4-diamine
SMILESCC(CNc1ccnc(N)c1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-11(12-5-3-2-4-6-12)10-17-13-7-8-16-14(15)9-13/h2-9,11H,10H2,1H3,(H3,15,16,17)
InChIKeyMKMCOYRIXFWBSI-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-Phenyl-2-pyridinamine
CID 105097
Midaglizole
CID 68864
Isoquinolin-3-Amine
CID 311869
1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
N-Desmethylpheniramine
CID 161283
Thiourea, N-(2-phenylethyl)-N'-2-pyridinyl-
CID 799959
Thiourea, N-(5-methyl-2-pyridinyl)-N'-(2-phenylethyl)-
CID 971434

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylpropyl)pyridine-2,4-diamine?
The IUPAC name of 4-N-(2-phenylpropyl)pyridine-2,4-diamine (CID 104592493) is 4-N-(2-phenylpropyl)pyridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-phenylpropyl)pyridine-2,4-diamine?
The canonical SMILES for 4-N-(2-phenylpropyl)pyridine-2,4-diamine is CC(CNc1ccnc(N)c1)c1ccccc1.
What is the InChIKey of 4-N-(2-phenylpropyl)pyridine-2,4-diamine?
The InChIKey is MKMCOYRIXFWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11(12-5-3-2-4-6-12)10-17-13-7-8-16-14(15)9-13/h2-9,11H,10H2,1H3,(H3,15,16,17).
What are the key properties of 4-N-(2-phenylpropyl)pyridine-2,4-diamine?
4-N-(2-phenylpropyl)pyridine-2,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylpropyl)pyridine-2,4-diamine is sourced from PubChem (CID 104592493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).