N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine

C14H17N3 — CID 63761958

IUPACN-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11-6-5-9-14(16-11)17-13(10-15)12-7-3-2-4-8-12/h2-9,13H,10,15H2,1H3,(H,16,17)
InChIKeyWOIGIWGTXTUIMI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.50
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine

N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine (PubChem CID 63761958) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
PubChem CID63761958
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2ccccc2)n1
InChIInChI=1S/C14H17N3/c1-11-6-5-9-14(16-11)17-13(10-15)12-7-3-2-4-8-12/h2-9,13H,10,15H2,1H3,(H,16,17)
InChIKeyWOIGIWGTXTUIMI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine (CID 63761958) is N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine is Cc1cccc(NC(CN)c2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine?
The InChIKey is WOIGIWGTXTUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-6-5-9-14(16-11)17-13(10-15)12-7-3-2-4-8-12/h2-9,13H,10,15H2,1H3,(H,16,17).
What are the key properties of N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine?
N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 63761958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).