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

C20H26N2O2 — CID 155535049

IUPAC1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCNCC(O)CN1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C20H26N2O2/c1-21-12-19(23)14-22-10-9-17-11-20(8-7-18(17)13-22)24-15-16-5-3-2-4-6-16/h2-8,11,19,21,23H,9-10,12-15H2,1H3
InChIKeyFTYBTIALSBYYEN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.20
Rot. Bonds7

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

1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 155535049) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID155535049
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCNCC(O)CN1CCc2cc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C20H26N2O2/c1-21-12-19(23)14-22-10-9-17-11-20(8-7-18(17)13-22)24-15-16-5-3-2-4-6-16/h2-8,11,19,21,23H,9-10,12-15H2,1H3
InChIKeyFTYBTIALSBYYEN-UHFFFAOYSA-N
XLogP2.20
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

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Related Compounds

(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 111106106
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1-amino-3-[6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 166672194
1-[3-[(benzylamino)methyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 45239451
(2R)-1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 155944929
6-phenylmethoxy-2-(3,3,4,4-tetrafluoropent-1-en-2-yl)-3,4-dihydro-1H-isoquinoline
CID 143447303
[2-[(2R)-2-hydroxy-3-[(6-iodopyrimidine-4-carbonyl)amino]propyl]-3,4-dihydro-1H-isoquinolin-6-yl] hypoiodite
CID 163915575
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-propan-2-yloxypropan-2-ol
CID 110909734
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 90328743
3-amino-5-methyl-1-(7-phenylmethoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-2-one;dihydrochloride
CID 22237975

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 155535049) is 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is CNCC(O)CN1CCc2cc(OCc3ccccc3)ccc2C1.
What is the InChIKey of 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is FTYBTIALSBYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-21-12-19(23)14-22-10-9-17-11-20(8-7-18(17)13-22)24-15-16-5-3-2-4-6-16/h2-8,11,19,21,23H,9-10,12-15H2,1H3.
What are the key properties of 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 326.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 155535049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).