3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol

C16H18N2O — CID 20531690

IUPAC3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
SMILESCN1Cc2c(N)cccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C16H18N2O/c1-18-9-14(11-4-2-5-12(19)8-11)13-6-3-7-16(17)15(13)10-18/h2-8,14,19H,9-10,17H2,1H3
InChIKeyFCVIVPJROUDKGM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds1

About 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol

3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol (PubChem CID 20531690) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol.

Molecular Properties

Compound Name3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
PubChem CID20531690
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
SMILESCN1Cc2c(N)cccc2C(c2cccc(O)c2)C1
InChIInChI=1S/C16H18N2O/c1-18-9-14(11-4-2-5-12(19)8-11)13-6-3-7-16(17)15(13)10-18/h2-8,14,19H,9-10,17H2,1H3
InChIKeyFCVIVPJROUDKGM-UHFFFAOYSA-N
XLogP2.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol?
The IUPAC name of 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol (CID 20531690) is 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol.
What is the SMILES notation for 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol?
The canonical SMILES for 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol is CN1Cc2c(N)cccc2C(c2cccc(O)c2)C1.
What is the InChIKey of 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol?
The InChIKey is FCVIVPJROUDKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-9-14(11-4-2-5-12(19)8-11)13-6-3-7-16(17)15(13)10-18/h2-8,14,19H,9-10,17H2,1H3.
What are the key properties of 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol?
3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol has a molecular weight of 254.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol is sourced from PubChem (CID 20531690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).