1-(propylaminomethyl)-2,3-dihydroinden-1-ol

C13H19NO — CID 62772754

IUPAC1-(propylaminomethyl)-2,3-dihydroinden-1-ol
SMILESCCCNCC1(O)CCc2ccccc21
InChIInChI=1S/C13H19NO/c1-2-9-14-10-13(15)8-7-11-5-3-4-6-12(11)13/h3-6,14-15H,2,7-10H2,1H3
InChIKeyHHNZVDSMBVJKJR-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.82
Rot. Bonds4

About 1-(propylaminomethyl)-2,3-dihydroinden-1-ol

1-(propylaminomethyl)-2,3-dihydroinden-1-ol (PubChem CID 62772754) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(propylaminomethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(propylaminomethyl)-2,3-dihydroinden-1-ol
PubChem CID62772754
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(propylaminomethyl)-2,3-dihydroinden-1-ol
SMILESCCCNCC1(O)CCc2ccccc21
InChIInChI=1S/C13H19NO/c1-2-9-14-10-13(15)8-7-11-5-3-4-6-12(11)13/h3-6,14-15H,2,7-10H2,1H3
InChIKeyHHNZVDSMBVJKJR-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-(propylaminomethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(propylaminomethyl)-2,3-dihydroinden-1-ol (CID 62772754) is 1-(propylaminomethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(propylaminomethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(propylaminomethyl)-2,3-dihydroinden-1-ol is CCCNCC1(O)CCc2ccccc21.
What is the InChIKey of 1-(propylaminomethyl)-2,3-dihydroinden-1-ol?
The InChIKey is HHNZVDSMBVJKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-9-14-10-13(15)8-7-11-5-3-4-6-12(11)13/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of 1-(propylaminomethyl)-2,3-dihydroinden-1-ol?
1-(propylaminomethyl)-2,3-dihydroinden-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylaminomethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 62772754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).