2-(cyclopropylamino)-2-isoquinolin-4-ylethanol

C14H16N2O — CID 113420191

IUPAC2-(cyclopropylamino)-2-isoquinolin-4-ylethanol
SMILESOCC(NC1CC1)c1cncc2ccccc12
InChIInChI=1S/C14H16N2O/c17-9-14(16-11-5-6-11)13-8-15-7-10-3-1-2-4-12(10)13/h1-4,7-8,11,14,16-17H,5-6,9H2
InChIKeyFXNJZCYKTRUGGK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.02
Rot. Bonds4

About 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol

2-(cyclopropylamino)-2-isoquinolin-4-ylethanol (PubChem CID 113420191) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-isoquinolin-4-ylethanol
PubChem CID113420191
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-(cyclopropylamino)-2-isoquinolin-4-ylethanol
SMILESOCC(NC1CC1)c1cncc2ccccc12
InChIInChI=1S/C14H16N2O/c17-9-14(16-11-5-6-11)13-8-15-7-10-3-1-2-4-12(10)13/h1-4,7-8,11,14,16-17H,5-6,9H2
InChIKeyFXNJZCYKTRUGGK-UHFFFAOYSA-N
XLogP2.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(quinolin-4-ylmethylamino)butan-1-ol
CID 57328258
4-(((Isoquinolin-5-yl)methyl)amino)butan-1-ol
CID 113883738
3-Isoquinolin-1-ylpropan-1-ol
CID 13191091
2-(Isoquinolin-5-ylamino)cyclopropan-1-ol
CID 44322478
2-[Cyclobutyl(3-isoquinolin-4-ylpropyl)amino]ethanol
CID 122155600
(2R,3S)-3-amino-1-[(5-fluoro-3-pyridinyl)methylamino]-4-phenylbutan-2-ol
CID 59569871
4-(5-Fluoro-3-methylisoquinolin-4-yl)butan-1-ol
CID 126544912
(s)-beta-[[(Pyridin-3-yl)methyl]amino]benzenepropanol
CID 113715766
(2R)-2-[[(R)-[(1R)-cyclohex-2-en-1-yl]-pyridin-3-ylmethyl]amino]-2-phenylethanol
CID 134955338
2-Quinolin-8-yl-2-(2,2,2-trifluoroethylamino)ethanol
CID 63968111
(2S)-2-[1-(5-fluoro-3-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 102613846
1-Isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148193

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol?
The IUPAC name of 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol (CID 113420191) is 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol?
The canonical SMILES for 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol is OCC(NC1CC1)c1cncc2ccccc12.
What is the InChIKey of 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol?
The InChIKey is FXNJZCYKTRUGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-9-14(16-11-5-6-11)13-8-15-7-10-3-1-2-4-12(10)13/h1-4,7-8,11,14,16-17H,5-6,9H2.
What are the key properties of 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol?
2-(cyclopropylamino)-2-isoquinolin-4-ylethanol has a molecular weight of 228.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-isoquinolin-4-ylethanol is sourced from PubChem (CID 113420191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).