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

C16H18F2N2O — CID 82736077

IUPAC1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
SMILESCCc1cccnc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O/c1-2-11-4-3-7-20-15(11)9-19-10-16(21)12-5-6-13(17)14(18)8-12/h3-8,16,19,21H,2,9-10H2,1H3
InChIKeyXTUGEZLRSASKMP-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.75
Rot. Bonds6

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

1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol (PubChem CID 82736077) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
PubChem CID82736077
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
SMILESCCc1cccnc1CNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O/c1-2-11-4-3-7-20-15(11)9-19-10-16(21)12-5-6-13(17)14(18)8-12/h3-8,16,19,21H,2,9-10H2,1H3
InChIKeyXTUGEZLRSASKMP-UHFFFAOYSA-N
XLogP2.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
2-[(3-ethyl-2-pyridinyl)methylamino]-1-thiophen-2-ylethanol
CID 82738388
3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
CID 82736523
1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
CID 106371980
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
1-[(3-ethyl-2-pyridinyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 82734995
2-[(2-ethylphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 64681384
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
CID 114472474

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol (CID 82736077) is 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol is CCc1cccnc1CNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol?
The InChIKey is XTUGEZLRSASKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-11-4-3-7-20-15(11)9-19-10-16(21)12-5-6-13(17)14(18)8-12/h3-8,16,19,21H,2,9-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol has a molecular weight of 292.33 g/mol, XLogP of 2.75, 6 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-ethyl-2-pyridinyl)methylamino]ethanol is sourced from PubChem (CID 82736077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).