3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide

C17H19N3O — CID 61015450

IUPAC3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCc3c(N)cccc3C2)c1
InChIInChI=1S/C17H19N3O/c18-16-6-2-5-14-11-20(8-7-15(14)16)10-12-3-1-4-13(9-12)17(19)21/h1-6,9H,7-8,10-11,18H2,(H2,19,21)
InChIKeyCWMPBHMBAIQBIZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.93
Rot. Bonds3

About 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide

3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide (PubChem CID 61015450) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
PubChem CID61015450
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCc3c(N)cccc3C2)c1
InChIInChI=1S/C17H19N3O/c18-16-6-2-5-14-11-20(8-7-15(14)16)10-12-3-1-4-13(9-12)17(19)21/h1-6,9H,7-8,10-11,18H2,(H2,19,21)
InChIKeyCWMPBHMBAIQBIZ-UHFFFAOYSA-N
XLogP1.93
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide 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

2-[(3-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017935
2-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017305
2-[(5-bromothiophen-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54904205
3-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide;hydrochloride
CID 67160044
4-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzene-1,3-diol
CID 61019113
6-carbamoyl-2-[[3-(sulfinoamino)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 174298028
2-(1,2-oxazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903159
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494
4-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzene-1,2-diol
CID 114522372
2-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-bromophenol
CID 107739144
6-[[2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]pyridine-3-carboxamide
CID 68750583
2-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019122

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
The IUPAC name of 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide (CID 61015450) is 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
The canonical SMILES for 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide is NC(=O)c1cccc(CN2CCc3c(N)cccc3C2)c1.
What is the InChIKey of 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
The InChIKey is CWMPBHMBAIQBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-16-6-2-5-14-11-20(8-7-15(14)16)10-12-3-1-4-13(9-12)17(19)21/h1-6,9H,7-8,10-11,18H2,(H2,19,21).
What are the key properties of 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide?
3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide has a molecular weight of 281.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide is sourced from PubChem (CID 61015450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).