1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol

C26H30N2O2 — CID 155523571

IUPAC1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
SMILESCNCC(O)CN1CCc2c(cccc2OCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C26H30N2O2/c1-27-16-24(29)18-28-15-14-25-23(17-28)8-5-9-26(25)30-19-20-10-12-22(13-11-20)21-6-3-2-4-7-21/h2-13,24,27,29H,14-19H2,1H3
InChIKeyJWUOHCNXVITZDK-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.87
Rot. Bonds8

About 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol

1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol (PubChem CID 155523571) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
PubChem CID155523571
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
SMILESCNCC(O)CN1CCc2c(cccc2OCc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C26H30N2O2/c1-27-16-24(29)18-28-15-14-25-23(17-28)8-5-9-26(25)30-19-20-10-12-22(13-11-20)21-6-3-2-4-7-21/h2-13,24,27,29H,14-19H2,1H3
InChIKeyJWUOHCNXVITZDK-UHFFFAOYSA-N
XLogP3.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
The IUPAC name of 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol (CID 155523571) is 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol is CNCC(O)CN1CCc2c(cccc2OCc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
The InChIKey is JWUOHCNXVITZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-27-16-24(29)18-28-15-14-25-23(17-28)8-5-9-26(25)30-19-20-10-12-22(13-11-20)21-6-3-2-4-7-21/h2-13,24,27,29H,14-19H2,1H3.
What are the key properties of 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?
1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol has a molecular weight of 402.54 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[5-[(4-phenylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol is sourced from PubChem (CID 155523571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).