1-benzo[h]quinolin-2-ylpropan-1-amine;methanol

C17H20N2O — CID 142536181

IUPAC1-benzo[h]quinolin-2-ylpropan-1-amine;methanol
SMILESCCC(N)c1ccc2ccc3ccccc3c2n1.CO
InChIInChI=1S/C16H16N2.CH4O/c1-2-14(17)15-10-9-12-8-7-11-5-3-4-6-13(11)16(12)18-15;1-2/h3-10,14H,2,17H2,1H3;2H,1H3
InChIKeyHOBQBAZKMALSKA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.41
Rot. Bonds2

About 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol

1-benzo[h]quinolin-2-ylpropan-1-amine;methanol (PubChem CID 142536181) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol.

Molecular Properties

Compound Name1-benzo[h]quinolin-2-ylpropan-1-amine;methanol
PubChem CID142536181
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-benzo[h]quinolin-2-ylpropan-1-amine;methanol
SMILESCCC(N)c1ccc2ccc3ccccc3c2n1.CO
InChIInChI=1S/C16H16N2.CH4O/c1-2-14(17)15-10-9-12-8-7-11-5-3-4-6-13(11)16(12)18-15;1-2/h3-10,14H,2,17H2,1H3;2H,1H3
InChIKeyHOBQBAZKMALSKA-UHFFFAOYSA-N
XLogP3.41
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol?
The IUPAC name of 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol (CID 142536181) is 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol.
What is the SMILES notation for 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol?
The canonical SMILES for 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol is CCC(N)c1ccc2ccc3ccccc3c2n1.CO.
What is the InChIKey of 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol?
The InChIKey is HOBQBAZKMALSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.CH4O/c1-2-14(17)15-10-9-12-8-7-11-5-3-4-6-13(11)16(12)18-15;1-2/h3-10,14H,2,17H2,1H3;2H,1H3.
What are the key properties of 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol?
1-benzo[h]quinolin-2-ylpropan-1-amine;methanol has a molecular weight of 268.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[h]quinolin-2-ylpropan-1-amine;methanol is sourced from PubChem (CID 142536181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).