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

C18H22N2O2 — CID 16782188

IUPAC4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(CN)N2CCc3ccccc3C2)ccc1O
InChIInChI=1S/C18H22N2O2/c1-22-18-10-14(6-7-17(18)21)16(11-19)20-9-8-13-4-2-3-5-15(13)12-20/h2-7,10,16,21H,8-9,11-12,19H2,1H3
InChIKeyPDDUPRJDGLLYQR-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.46
Rot. Bonds4

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

4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol (PubChem CID 16782188) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol
PubChem CID16782188
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(CN)N2CCc3ccccc3C2)ccc1O
InChIInChI=1S/C18H22N2O2/c1-22-18-10-14(6-7-17(18)21)16(11-19)20-9-8-13-4-2-3-5-15(13)12-20/h2-7,10,16,21H,8-9,11-12,19H2,1H3
InChIKeyPDDUPRJDGLLYQR-UHFFFAOYSA-N
XLogP2.46
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 16786774
2-(3,4-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 43080008
4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
CID 16789817
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822114
4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2-methoxyphenol
CID 3201686
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
2-(3-methylphenyl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanamine
CID 63154718
2-(4,5-dibromofuran-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 62084695
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136658
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol (CID 16782188) is 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol is COc1cc(C(CN)N2CCc3ccccc3C2)ccc1O.
What is the InChIKey of 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol?
The InChIKey is PDDUPRJDGLLYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-18-10-14(6-7-17(18)21)16(11-19)20-9-8-13-4-2-3-5-15(13)12-20/h2-7,10,16,21H,8-9,11-12,19H2,1H3.
What are the key properties of 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol?
4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol has a molecular weight of 298.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 16782188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).