1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C19H24N2O2 — CID 155558960

IUPAC1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCNCC(O)CN1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C19H24N2O2/c1-20-12-17(22)14-21-10-9-15-11-19(8-7-16(15)13-21)23-18-5-3-2-4-6-18/h2-8,11,17,20,22H,9-10,12-14H2,1H3
InChIKeyXVZIMSSSEQUYSR-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.42
Rot. Bonds6

About 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 155558960) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID155558960
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCNCC(O)CN1CCc2cc(Oc3ccccc3)ccc2C1
InChIInChI=1S/C19H24N2O2/c1-20-12-17(22)14-21-10-9-15-11-19(8-7-16(15)13-21)23-18-5-3-2-4-6-18/h2-8,11,17,20,22H,9-10,12-14H2,1H3
InChIKeyXVZIMSSSEQUYSR-UHFFFAOYSA-N
XLogP2.42
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 155558960) is 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is CNCC(O)CN1CCc2cc(Oc3ccccc3)ccc2C1.
What is the InChIKey of 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is XVZIMSSSEQUYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20-12-17(22)14-21-10-9-15-11-19(8-7-16(15)13-21)23-18-5-3-2-4-6-18/h2-8,11,17,20,22H,9-10,12-14H2,1H3.
What are the key properties of 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 312.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(6-phenoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 155558960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).