2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol

C14H16F2N2O2 — CID 106173051

IUPAC2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
SMILESCOc1cccc2ccc(CNCC(F)(F)CO)nc12
InChIInChI=1S/C14H16F2N2O2/c1-20-12-4-2-3-10-5-6-11(18-13(10)12)7-17-8-14(15,16)9-19/h2-6,17,19H,7-9H2,1H3
InChIKeyRHEOIPPBRJAIMT-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.96
Rot. Bonds6

About 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol (PubChem CID 106173051) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
PubChem CID106173051
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
SMILESCOc1cccc2ccc(CNCC(F)(F)CO)nc12
InChIInChI=1S/C14H16F2N2O2/c1-20-12-4-2-3-10-5-6-11(18-13(10)12)7-17-8-14(15,16)9-19/h2-6,17,19H,7-9H2,1H3
InChIKeyRHEOIPPBRJAIMT-UHFFFAOYSA-N
XLogP1.96
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol (CID 106173051) is 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol is COc1cccc2ccc(CNCC(F)(F)CO)nc12.
What is the InChIKey of 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol?
The InChIKey is RHEOIPPBRJAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-20-12-4-2-3-10-5-6-11(18-13(10)12)7-17-8-14(15,16)9-19/h2-6,17,19H,7-9H2,1H3.
What are the key properties of 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol has a molecular weight of 282.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106173051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).