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

C15H16F2N2O — CID 63306680

IUPAC1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
SMILESCc1cccnc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-3-2-6-19-14(10)8-18-9-15(20)11-4-5-12(16)13(17)7-11/h2-7,15,18,20H,8-9H2,1H3
InChIKeyYQPLSYUSFHOKIN-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.49
Rot. Bonds5

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

1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol (PubChem CID 63306680) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
PubChem CID63306680
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
SMILESCc1cccnc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O/c1-10-3-2-6-19-14(10)8-18-9-15(20)11-4-5-12(16)13(17)7-11/h2-7,15,18,20H,8-9H2,1H3
InChIKeyYQPLSYUSFHOKIN-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
1-(3,4-difluorophenyl)-N-methyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446480
1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
CID 106371980
1-(3,4-difluorophenyl)-2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]ethanol
CID 111462126
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638
1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
CID 63306471
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62119737

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol (CID 63306680) is 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol is Cc1cccnc1CNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol?
The InChIKey is YQPLSYUSFHOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-10-3-2-6-19-14(10)8-18-9-15(20)11-4-5-12(16)13(17)7-11/h2-7,15,18,20H,8-9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol has a molecular weight of 278.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 63306680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).