(4-indazol-1-yl-2-methylphenyl)methanamine

C15H15N3 — CID 55038931

IUPAC(4-indazol-1-yl-2-methylphenyl)methanamine
SMILESCc1cc(-n2ncc3ccccc32)ccc1CN
InChIInChI=1S/C15H15N3/c1-11-8-14(7-6-12(11)9-16)18-15-5-3-2-4-13(15)10-17-18/h2-8,10H,9,16H2,1H3
InChIKeyHWENFCJIBJGVIH-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.79
Rot. Bonds2

About (4-indazol-1-yl-2-methylphenyl)methanamine

(4-indazol-1-yl-2-methylphenyl)methanamine (PubChem CID 55038931) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is (4-indazol-1-yl-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-indazol-1-yl-2-methylphenyl)methanamine
PubChem CID55038931
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name(4-indazol-1-yl-2-methylphenyl)methanamine
SMILESCc1cc(-n2ncc3ccccc32)ccc1CN
InChIInChI=1S/C15H15N3/c1-11-8-14(7-6-12(11)9-16)18-15-5-3-2-4-13(15)10-17-18/h2-8,10H,9,16H2,1H3
InChIKeyHWENFCJIBJGVIH-UHFFFAOYSA-N
XLogP2.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-indazol-1-yl-2-methylphenyl)methanamine?
The IUPAC name of (4-indazol-1-yl-2-methylphenyl)methanamine (CID 55038931) is (4-indazol-1-yl-2-methylphenyl)methanamine.
What is the SMILES notation for (4-indazol-1-yl-2-methylphenyl)methanamine?
The canonical SMILES for (4-indazol-1-yl-2-methylphenyl)methanamine is Cc1cc(-n2ncc3ccccc32)ccc1CN.
What is the InChIKey of (4-indazol-1-yl-2-methylphenyl)methanamine?
The InChIKey is HWENFCJIBJGVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-8-14(7-6-12(11)9-16)18-15-5-3-2-4-13(15)10-17-18/h2-8,10H,9,16H2,1H3.
What are the key properties of (4-indazol-1-yl-2-methylphenyl)methanamine?
(4-indazol-1-yl-2-methylphenyl)methanamine has a molecular weight of 237.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-indazol-1-yl-2-methylphenyl)methanamine is sourced from PubChem (CID 55038931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).