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

C17H19NO — CID 19697838

IUPAC(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol
SMILESOCC1Cc2ccccc2N(Cc2ccccc2)C1
InChIInChI=1S/C17H19NO/c19-13-15-10-16-8-4-5-9-17(16)18(12-15)11-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2
InChIKeyXLPXNTOFWRMLFM-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.86
Rot. Bonds3

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

(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol (PubChem CID 19697838) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol
PubChem CID19697838
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol
SMILESOCC1Cc2ccccc2N(Cc2ccccc2)C1
InChIInChI=1S/C17H19NO/c19-13-15-10-16-8-4-5-9-17(16)18(12-15)11-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2
InChIKeyXLPXNTOFWRMLFM-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol?
The IUPAC name of (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol (CID 19697838) is (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol.
What is the SMILES notation for (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol?
The canonical SMILES for (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol is OCC1Cc2ccccc2N(Cc2ccccc2)C1.
What is the InChIKey of (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol?
The InChIKey is XLPXNTOFWRMLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-13-15-10-16-8-4-5-9-17(16)18(12-15)11-14-6-2-1-3-7-14/h1-9,15,19H,10-13H2.
What are the key properties of (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol?
(1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol has a molecular weight of 253.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,4-dihydro-2H-quinolin-3-yl)methanol is sourced from PubChem (CID 19697838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).