2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine

C19H23FN2O — CID 78877945

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCN2CCc3ccccc3C2)cc1F
InChIInChI=1S/C19H23FN2O/c1-23-19-7-6-15(12-18(19)20)13-21-9-11-22-10-8-16-4-2-3-5-17(16)14-22/h2-7,12,21H,8-11,13-14H2,1H3
InChIKeyVEFGQOMIMPSYGT-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.98
Rot. Bonds6

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 78877945) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID78877945
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CNCCN2CCc3ccccc3C2)cc1F
InChIInChI=1S/C19H23FN2O/c1-23-19-7-6-15(12-18(19)20)13-21-9-11-22-10-8-16-4-2-3-5-17(16)14-22/h2-7,12,21H,8-11,13-14H2,1H3
InChIKeyVEFGQOMIMPSYGT-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 37496065
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluoro-4-methoxybenzamide
CID 37096433
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 37496007
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111201189
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111055532
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667253
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 62575146
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111057632
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632650

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 78877945) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine is COc1ccc(CNCCN2CCc3ccccc3C2)cc1F.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is VEFGQOMIMPSYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-23-19-7-6-15(12-18(19)20)13-21-9-11-22-10-8-16-4-2-3-5-17(16)14-22/h2-7,12,21H,8-11,13-14H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 314.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 78877945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).