2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol

C18H23FN2O2 — CID 134708358

IUPAC2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol
SMILESCOc1c(C)cnc(CN(CCO)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H23FN2O2/c1-13-10-20-17(14(2)18(13)23-3)12-21(8-9-22)11-15-4-6-16(19)7-5-15/h4-7,10,22H,8-9,11-12H2,1-3H3
InChIKeyJJVBDVRVFLQRJF-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.84
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol

2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol (PubChem CID 134708358) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol
PubChem CID134708358
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol
SMILESCOc1c(C)cnc(CN(CCO)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C18H23FN2O2/c1-13-10-20-17(14(2)18(13)23-3)12-21(8-9-22)11-15-4-6-16(19)7-5-15/h4-7,10,22H,8-9,11-12H2,1-3H3
InChIKeyJJVBDVRVFLQRJF-UHFFFAOYSA-N
XLogP2.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol?
The IUPAC name of 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol (CID 134708358) is 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol is COc1c(C)cnc(CN(CCO)Cc2ccc(F)cc2)c1C.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol?
The InChIKey is JJVBDVRVFLQRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13-10-20-17(14(2)18(13)23-3)12-21(8-9-22)11-15-4-6-16(19)7-5-15/h4-7,10,22H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol?
2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol has a molecular weight of 318.39 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethanol is sourced from PubChem (CID 134708358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).