1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C19H24N2O — CID 155516447

IUPAC1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCNCC(O)CN1CCc2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C19H24N2O/c1-20-12-17(22)14-21-11-10-19-16(13-21)8-5-9-18(19)15-6-3-2-4-7-15/h2-9,17,20,22H,10-14H2,1H3
InChIKeyVZJMFIZLLIGFDB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.29
Rot. Bonds5

About 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 155516447) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID155516447
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCNCC(O)CN1CCc2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C19H24N2O/c1-20-12-17(22)14-21-11-10-19-16(13-21)8-5-9-18(19)15-6-3-2-4-7-15/h2-9,17,20,22H,10-14H2,1H3
InChIKeyVZJMFIZLLIGFDB-UHFFFAOYSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 155516447) is 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is CNCC(O)CN1CCc2c(cccc2-c2ccccc2)C1.
What is the InChIKey of 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is VZJMFIZLLIGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-12-17(22)14-21-11-10-19-16(13-21)8-5-9-18(19)15-6-3-2-4-7-15/h2-9,17,20,22H,10-14H2,1H3.
What are the key properties of 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(5-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 155516447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).