3-(indazol-1-ylmethyl)-2-methylaniline

C15H15N3 — CID 62141477

IUPAC3-(indazol-1-ylmethyl)-2-methylaniline
SMILESCc1c(N)cccc1Cn1ncc2ccccc21
InChIInChI=1S/C15H15N3/c1-11-13(6-4-7-14(11)16)10-18-15-8-3-2-5-12(15)9-17-18/h2-9H,10,16H2,1H3
InChIKeyYNCXLDKODXEGBK-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.98
Rot. Bonds2

About 3-(indazol-1-ylmethyl)-2-methylaniline

3-(indazol-1-ylmethyl)-2-methylaniline (PubChem CID 62141477) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-(indazol-1-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name3-(indazol-1-ylmethyl)-2-methylaniline
PubChem CID62141477
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name3-(indazol-1-ylmethyl)-2-methylaniline
SMILESCc1c(N)cccc1Cn1ncc2ccccc21
InChIInChI=1S/C15H15N3/c1-11-13(6-4-7-14(11)16)10-18-15-8-3-2-5-12(15)9-17-18/h2-9H,10,16H2,1H3
InChIKeyYNCXLDKODXEGBK-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(indazol-1-ylmethyl)-2-methylaniline?
The IUPAC name of 3-(indazol-1-ylmethyl)-2-methylaniline (CID 62141477) is 3-(indazol-1-ylmethyl)-2-methylaniline.
What is the SMILES notation for 3-(indazol-1-ylmethyl)-2-methylaniline?
The canonical SMILES for 3-(indazol-1-ylmethyl)-2-methylaniline is Cc1c(N)cccc1Cn1ncc2ccccc21.
What is the InChIKey of 3-(indazol-1-ylmethyl)-2-methylaniline?
The InChIKey is YNCXLDKODXEGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-13(6-4-7-14(11)16)10-18-15-8-3-2-5-12(15)9-17-18/h2-9H,10,16H2,1H3.
What are the key properties of 3-(indazol-1-ylmethyl)-2-methylaniline?
3-(indazol-1-ylmethyl)-2-methylaniline has a molecular weight of 237.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(indazol-1-ylmethyl)-2-methylaniline is sourced from PubChem (CID 62141477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).