5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine

C14H17N3 — CID 79884611

IUPAC5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)c1ccccc1
InChIInChI=1S/C14H17N3/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h3-8,10H,9,15H2,1-2H3
InChIKeyITHWRJJLSCWWPW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.62
Rot. Bonds3

About 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine

5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine (PubChem CID 79884611) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
PubChem CID79884611
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)c1ccccc1
InChIInChI=1S/C14H17N3/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h3-8,10H,9,15H2,1-2H3
InChIKeyITHWRJJLSCWWPW-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine (CID 79884611) is 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine is Cc1cc(CN)cnc1N(C)c1ccccc1.
What is the InChIKey of 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine?
The InChIKey is ITHWRJJLSCWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-12(9-15)10-16-14(11)17(2)13-6-4-3-5-7-13/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine?
5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 79884611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).