3-(1-benzylindazol-3-yl)oxypropan-1-amine

C17H19N3O — CID 10564776

IUPAC3-(1-benzylindazol-3-yl)oxypropan-1-amine
SMILESNCCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H19N3O/c18-11-6-12-21-17-15-9-4-5-10-16(15)20(19-17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2
InChIKeyKFNKPAYXEHELQT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.81
Rot. Bonds6

About 3-(1-benzylindazol-3-yl)oxypropan-1-amine

3-(1-benzylindazol-3-yl)oxypropan-1-amine (PubChem CID 10564776) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(1-benzylindazol-3-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylindazol-3-yl)oxypropan-1-amine
PubChem CID10564776
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-(1-benzylindazol-3-yl)oxypropan-1-amine
SMILESNCCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H19N3O/c18-11-6-12-21-17-15-9-4-5-10-16(15)20(19-17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2
InChIKeyKFNKPAYXEHELQT-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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 3-(1-benzylindazol-3-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-benzylindazol-3-yl)oxypropan-1-amine (CID 10564776) is 3-(1-benzylindazol-3-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-benzylindazol-3-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-benzylindazol-3-yl)oxypropan-1-amine is NCCCOc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindazol-3-yl)oxypropan-1-amine?
The InChIKey is KFNKPAYXEHELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-11-6-12-21-17-15-9-4-5-10-16(15)20(19-17)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13,18H2.
What are the key properties of 3-(1-benzylindazol-3-yl)oxypropan-1-amine?
3-(1-benzylindazol-3-yl)oxypropan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindazol-3-yl)oxypropan-1-amine is sourced from PubChem (CID 10564776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).