2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol

C18H18N2O — CID 105058581

IUPAC2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1nccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-18(13-21,15-8-3-2-4-9-15)20-17-16-10-6-5-7-14(16)11-12-19-17/h2-12,21H,13H2,1H3,(H,19,20)
InChIKeyJGZUUFCTNDFROI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.55
Rot. Bonds4

About 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol

2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol (PubChem CID 105058581) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
PubChem CID105058581
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1nccc2ccccc12)c1ccccc1
InChIInChI=1S/C18H18N2O/c1-18(13-21,15-8-3-2-4-9-15)20-17-16-10-6-5-7-14(16)11-12-19-17/h2-12,21H,13H2,1H3,(H,19,20)
InChIKeyJGZUUFCTNDFROI-UHFFFAOYSA-N
XLogP3.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
2-phenyl-2-(quinolin-4-ylamino)propan-1-ol
CID 105058459
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
CID 105060887
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060879
N-isoquinolin-1-yl-2,2-dimethylpropanamide
CID 598735
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060917
3-N-isoquinolin-1-yl-3-methylpentane-1,3-diamine
CID 106166124
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
2-phenyl-2-(1,3,4-thiadiazol-2-ylamino)propan-1-ol
CID 105058401

Frequently Asked Questions

What is the IUPAC name of 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol (CID 105058581) is 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol is CC(CO)(Nc1nccc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol?
The InChIKey is JGZUUFCTNDFROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-18(13-21,15-8-3-2-4-9-15)20-17-16-10-6-5-7-14(16)11-12-19-17/h2-12,21H,13H2,1H3,(H,19,20).
What are the key properties of 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol?
2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 105058581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).