2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

C16H25FN2O3 — CID 111781092

IUPAC2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCOc1ccc(CN(CCO)CCN2CCOCC2)cc1F
InChIInChI=1S/C16H25FN2O3/c1-21-16-3-2-14(12-15(16)17)13-19(6-9-20)5-4-18-7-10-22-11-8-18/h2-3,12,20H,4-11,13H2,1H3
InChIKeyYJOKFZOMTSZWLC-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.96
Rot. Bonds8

About 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol

2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (PubChem CID 111781092) has the molecular formula C16H25FN2O3 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
PubChem CID111781092
Molecular FormulaC16H25FN2O3
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
SMILESCOc1ccc(CN(CCO)CCN2CCOCC2)cc1F
InChIInChI=1S/C16H25FN2O3/c1-21-16-3-2-14(12-15(16)17)13-19(6-9-20)5-4-18-7-10-22-11-8-18/h2-3,12,20H,4-11,13H2,1H3
InChIKeyYJOKFZOMTSZWLC-UHFFFAOYSA-N
XLogP0.96
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol (CID 111781092) is 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is COc1ccc(CN(CCO)CCN2CCOCC2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
The InChIKey is YJOKFZOMTSZWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O3/c1-21-16-3-2-14(12-15(16)17)13-19(6-9-20)5-4-18-7-10-22-11-8-18/h2-3,12,20H,4-11,13H2,1H3.
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol?
2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol has a molecular weight of 312.38 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol is sourced from PubChem (CID 111781092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).