(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol

C13H16N2O — CID 94873246

IUPAC(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCc1cccc2cnccc12
InChIInChI=1S/C13H16N2O/c1-10(9-16)15-8-12-4-2-3-11-7-14-6-5-13(11)12/h2-7,10,15-16H,8-9H2,1H3/t10-/m1/s1
InChIKeyPGUPPQXMCSAXQB-SNVBAGLBSA-N
MW216.28 g/mol
LogP1.71
Rot. Bonds4

About (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol

(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol (PubChem CID 94873246) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
PubChem CID94873246
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
SMILESC[C@H](CO)NCc1cccc2cnccc12
InChIInChI=1S/C13H16N2O/c1-10(9-16)15-8-12-4-2-3-11-7-14-6-5-13(11)12/h2-7,10,15-16H,8-9H2,1H3/t10-/m1/s1
InChIKeyPGUPPQXMCSAXQB-SNVBAGLBSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282290
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
(2S)-2-(isoquinolin-5-ylmethylamino)-5,5-dimethylhexanoic acid
CID 167496493
2-(pyren-1-ylmethylamino)propan-1-ol;hydrochloride
CID 21247318
2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
CID 106171853

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol?
The IUPAC name of (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol (CID 94873246) is (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol is C[C@H](CO)NCc1cccc2cnccc12.
What is the InChIKey of (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol?
The InChIKey is PGUPPQXMCSAXQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(9-16)15-8-12-4-2-3-11-7-14-6-5-13(11)12/h2-7,10,15-16H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol?
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol is sourced from PubChem (CID 94873246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).