[4-(3-indazol-1-ylpropoxy)phenyl]methanamine

C17H19N3O — CID 62140171

IUPAC[4-(3-indazol-1-ylpropoxy)phenyl]methanamine
SMILESNCc1ccc(OCCCn2ncc3ccccc32)cc1
InChIInChI=1S/C17H19N3O/c18-12-14-6-8-16(9-7-14)21-11-3-10-20-17-5-2-1-4-15(17)13-19-20/h1-2,4-9,13H,3,10-12,18H2
InChIKeyWNWZNNJPVNKEIZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.96
Rot. Bonds6

About [4-(3-indazol-1-ylpropoxy)phenyl]methanamine

[4-(3-indazol-1-ylpropoxy)phenyl]methanamine (PubChem CID 62140171) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(3-indazol-1-ylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-indazol-1-ylpropoxy)phenyl]methanamine
PubChem CID62140171
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(3-indazol-1-ylpropoxy)phenyl]methanamine
SMILESNCc1ccc(OCCCn2ncc3ccccc32)cc1
InChIInChI=1S/C17H19N3O/c18-12-14-6-8-16(9-7-14)21-11-3-10-20-17-5-2-1-4-15(17)13-19-20/h1-2,4-9,13H,3,10-12,18H2
InChIKeyWNWZNNJPVNKEIZ-UHFFFAOYSA-N
XLogP2.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-indazol-1-ylpropoxy)phenyl]methanamine?
The IUPAC name of [4-(3-indazol-1-ylpropoxy)phenyl]methanamine (CID 62140171) is [4-(3-indazol-1-ylpropoxy)phenyl]methanamine.
What is the SMILES notation for [4-(3-indazol-1-ylpropoxy)phenyl]methanamine?
The canonical SMILES for [4-(3-indazol-1-ylpropoxy)phenyl]methanamine is NCc1ccc(OCCCn2ncc3ccccc32)cc1.
What is the InChIKey of [4-(3-indazol-1-ylpropoxy)phenyl]methanamine?
The InChIKey is WNWZNNJPVNKEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-12-14-6-8-16(9-7-14)21-11-3-10-20-17-5-2-1-4-15(17)13-19-20/h1-2,4-9,13H,3,10-12,18H2.
What are the key properties of [4-(3-indazol-1-ylpropoxy)phenyl]methanamine?
[4-(3-indazol-1-ylpropoxy)phenyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-indazol-1-ylpropoxy)phenyl]methanamine is sourced from PubChem (CID 62140171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).