3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol

C17H20N2O — CID 16786774

IUPAC3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
SMILESNCC(c1cccc(O)c1)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N2O/c18-11-17(14-6-3-7-16(20)10-14)19-9-8-13-4-1-2-5-15(13)12-19/h1-7,10,17,20H,8-9,11-12,18H2
InChIKeyNYVNFVUSTUODCW-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds3

About 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol

3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol (PubChem CID 16786774) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
PubChem CID16786774
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
SMILESNCC(c1cccc(O)c1)N1CCc2ccccc2C1
InChIInChI=1S/C17H20N2O/c18-11-17(14-6-3-7-16(20)10-14)19-9-8-13-4-1-2-5-15(13)12-19/h1-7,10,17,20H,8-9,11-12,18H2
InChIKeyNYVNFVUSTUODCW-UHFFFAOYSA-N
XLogP2.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol 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 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol?
The IUPAC name of 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol (CID 16786774) is 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol is NCC(c1cccc(O)c1)N1CCc2ccccc2C1.
What is the InChIKey of 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol?
The InChIKey is NYVNFVUSTUODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-11-17(14-6-3-7-16(20)10-14)19-9-8-13-4-1-2-5-15(13)12-19/h1-7,10,17,20H,8-9,11-12,18H2.
What are the key properties of 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol?
3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol is sourced from PubChem (CID 16786774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).