1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol

C15H16F2N2O2 — CID 60908484

IUPAC1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
SMILESCOc1ncccc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O2/c1-21-15-11(3-2-6-19-15)8-18-9-14(20)10-4-5-12(16)13(17)7-10/h2-7,14,18,20H,8-9H2,1H3
InChIKeyMLPSWHFHNRRSHK-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.19
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol

1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol (PubChem CID 60908484) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
PubChem CID60908484
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
SMILESCOc1ncccc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O2/c1-21-15-11(3-2-6-19-15)8-18-9-14(20)10-4-5-12(16)13(17)7-10/h2-7,14,18,20H,8-9H2,1H3
InChIKeyMLPSWHFHNRRSHK-UHFFFAOYSA-N
XLogP2.19
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol with MolForge

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Related Compounds

1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
1-ethoxy-3-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 63933376
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol (CID 60908484) is 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol is COc1ncccc1CNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol?
The InChIKey is MLPSWHFHNRRSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-21-15-11(3-2-6-19-15)8-18-9-14(20)10-4-5-12(16)13(17)7-10/h2-7,14,18,20H,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol has a molecular weight of 294.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 60908484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).