9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline

C13H14N2 — CID 129308037

IUPAC9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline
SMILESCc1ccc2ccc3c(c2n1)NCCC3
InChIInChI=1S/C13H14N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h4-7,14H,2-3,8H2,1H3
InChIKeyRLQADBPLKUYGKC-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.90
Rot. Bonds

About 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline

9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline (PubChem CID 129308037) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline.

Molecular Properties

Compound Name9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline
PubChem CID129308037
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline
SMILESCc1ccc2ccc3c(c2n1)NCCC3
InChIInChI=1S/C13H14N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h4-7,14H,2-3,8H2,1H3
InChIKeyRLQADBPLKUYGKC-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline?
The IUPAC name of 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline (CID 129308037) is 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline.
What is the SMILES notation for 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline?
The canonical SMILES for 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline is Cc1ccc2ccc3c(c2n1)NCCC3.
What is the InChIKey of 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline?
The InChIKey is RLQADBPLKUYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h4-7,14H,2-3,8H2,1H3.
What are the key properties of 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline?
9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline has a molecular weight of 198.27 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4-tetrahydro-1,10-phenanthroline is sourced from PubChem (CID 129308037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).