1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol

C19H24N2O2 — CID 46225828

IUPAC1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCCCN1CCc2cc(O)c(NC)cc2C1c1cccc(O)c1
InChIInChI=1S/C19H24N2O2/c1-3-8-21-9-7-13-11-18(23)17(20-2)12-16(13)19(21)14-5-4-6-15(22)10-14/h4-6,10-12,19-20,22-23H,3,7-9H2,1-2H3
InChIKeyOQXGMQVJDQGGDR-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol

1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 46225828) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID46225828
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCCCN1CCc2cc(O)c(NC)cc2C1c1cccc(O)c1
InChIInChI=1S/C19H24N2O2/c1-3-8-21-9-7-13-11-18(23)17(20-2)12-16(13)19(21)14-5-4-6-15(22)10-14/h4-6,10-12,19-20,22-23H,3,7-9H2,1-2H3
InChIKeyOQXGMQVJDQGGDR-UHFFFAOYSA-N
XLogP3.50
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol (CID 46225828) is 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol is CCCN1CCc2cc(O)c(NC)cc2C1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is OQXGMQVJDQGGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-8-21-9-7-13-11-18(23)17(20-2)12-16(13)19(21)14-5-4-6-15(22)10-14/h4-6,10-12,19-20,22-23H,3,7-9H2,1-2H3.
What are the key properties of 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol?
1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 312.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-7-(methylamino)-2-propyl-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 46225828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).