(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol

C13H16N2O — CID 97167713

IUPAC(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
SMILESCN[C@H](CCO)c1nccc2ccccc12
InChIInChI=1S/C13H16N2O/c1-14-12(7-9-16)13-11-5-3-2-4-10(11)6-8-15-13/h2-6,8,12,14,16H,7,9H2,1H3/t12-/m1/s1
InChIKeyLONLQNROOHFAMN-GFCCVEGCSA-N
MW216.28 g/mol
LogP1.88
Rot. Bonds4

About (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol

(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol (PubChem CID 97167713) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
PubChem CID97167713
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
SMILESCN[C@H](CCO)c1nccc2ccccc12
InChIInChI=1S/C13H16N2O/c1-14-12(7-9-16)13-11-5-3-2-4-10(11)6-8-15-13/h2-6,8,12,14,16H,7,9H2,1H3/t12-/m1/s1
InChIKeyLONLQNROOHFAMN-GFCCVEGCSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(cyclopropylamino)-3-isoquinolin-1-ylpropan-1-ol
CID 97169758
1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
CID 63948446
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79824265
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63948036
2-(4-fluorophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63950074
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
isoquinolin-1-ylmethanediol
CID 57261748
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
1-isoquinolin-1-yl-4-(methylamino)butane-1,2-diol
CID 171890434
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668

Frequently Asked Questions

What is the IUPAC name of (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol?
The IUPAC name of (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol (CID 97167713) is (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol.
What is the SMILES notation for (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol?
The canonical SMILES for (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol is CN[C@H](CCO)c1nccc2ccccc12.
What is the InChIKey of (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol?
The InChIKey is LONLQNROOHFAMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-12(7-9-16)13-11-5-3-2-4-10(11)6-8-15-13/h2-6,8,12,14,16H,7,9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol?
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol is sourced from PubChem (CID 97167713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).