(2S)-1-isoquinolin-5-yloxypropan-2-amine

C12H14N2O — CID 69075857

IUPAC(2S)-1-isoquinolin-5-yloxypropan-2-amine
SMILESC[C@H](N)COc1cccc2cnccc12
InChIInChI=1S/C12H14N2O/c1-9(13)8-15-12-4-2-3-10-7-14-6-5-11(10)12/h2-7,9H,8,13H2,1H3/t9-/m0/s1
InChIKeyGCHPUJKXSNBTRO-VIFPVBQESA-N
MW202.26 g/mol
LogP1.96
Rot. Bonds3

About (2S)-1-isoquinolin-5-yloxypropan-2-amine

(2S)-1-isoquinolin-5-yloxypropan-2-amine (PubChem CID 69075857) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2S)-1-isoquinolin-5-yloxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-isoquinolin-5-yloxypropan-2-amine
PubChem CID69075857
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2S)-1-isoquinolin-5-yloxypropan-2-amine
SMILESC[C@H](N)COc1cccc2cnccc12
InChIInChI=1S/C12H14N2O/c1-9(13)8-15-12-4-2-3-10-7-14-6-5-11(10)12/h2-7,9H,8,13H2,1H3/t9-/m0/s1
InChIKeyGCHPUJKXSNBTRO-VIFPVBQESA-N
XLogP1.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-isoquinolin-5-yloxy-3-methoxypropan-2-amine
CID 90668057
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
6-(2-methylpropoxy)isoquinolin-5-amine
CID 106948601
5-[(3-methyl-2-pyridin-2-ylphenyl)methoxy]isoquinoline
CID 46935830
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
2-isoquinolin-5-yloxybut-3-en-1-ol
CID 166518489
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
ethane;isoquinolin-5-amine
CID 143675367
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729

Frequently Asked Questions

What is the IUPAC name of (2S)-1-isoquinolin-5-yloxypropan-2-amine?
The IUPAC name of (2S)-1-isoquinolin-5-yloxypropan-2-amine (CID 69075857) is (2S)-1-isoquinolin-5-yloxypropan-2-amine.
What is the SMILES notation for (2S)-1-isoquinolin-5-yloxypropan-2-amine?
The canonical SMILES for (2S)-1-isoquinolin-5-yloxypropan-2-amine is C[C@H](N)COc1cccc2cnccc12.
What is the InChIKey of (2S)-1-isoquinolin-5-yloxypropan-2-amine?
The InChIKey is GCHPUJKXSNBTRO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(13)8-15-12-4-2-3-10-7-14-6-5-11(10)12/h2-7,9H,8,13H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-isoquinolin-5-yloxypropan-2-amine?
(2S)-1-isoquinolin-5-yloxypropan-2-amine has a molecular weight of 202.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-isoquinolin-5-yloxypropan-2-amine is sourced from PubChem (CID 69075857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).