(1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol

C10H14N2O — CID 130124423

IUPAC(1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol
SMILESNN1CCC(CO)c2ccccc21
InChIInChI=1S/C10H14N2O/c11-12-6-5-8(7-13)9-3-1-2-4-10(9)12/h1-4,8,13H,5-7,11H2
InChIKeyXNGZSRCMWYLUJV-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.85
Rot. Bonds1

About (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol

(1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol (PubChem CID 130124423) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol.

Molecular Properties

Compound Name(1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol
PubChem CID130124423
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol
SMILESNN1CCC(CO)c2ccccc21
InChIInChI=1S/C10H14N2O/c11-12-6-5-8(7-13)9-3-1-2-4-10(9)12/h1-4,8,13H,5-7,11H2
InChIKeyXNGZSRCMWYLUJV-UHFFFAOYSA-N
XLogP0.85
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol?
The IUPAC name of (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol (CID 130124423) is (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol.
What is the SMILES notation for (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol?
The canonical SMILES for (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol is NN1CCC(CO)c2ccccc21.
What is the InChIKey of (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol?
The InChIKey is XNGZSRCMWYLUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-12-6-5-8(7-13)9-3-1-2-4-10(9)12/h1-4,8,13H,5-7,11H2.
What are the key properties of (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol?
(1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol has a molecular weight of 178.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3,4-dihydro-2H-quinolin-4-yl)methanol is sourced from PubChem (CID 130124423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).