(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol

C14H22FNO3 — CID 63371146

IUPAC(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCOCCN(CCOC)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C14H22FNO3/c1-11(17)12-4-5-14(13(15)10-12)16(6-8-18-2)7-9-19-3/h4-5,10-11,17H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyMOCZQJIYZVDKNS-LLVKDONJSA-N
MW271.33 g/mol
LogP1.98
Rot. Bonds8

About (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol

(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol (PubChem CID 63371146) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
PubChem CID63371146
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
SMILESCOCCN(CCOC)c1ccc([C@@H](C)O)cc1F
InChIInChI=1S/C14H22FNO3/c1-11(17)12-4-5-14(13(15)10-12)16(6-8-18-2)7-9-19-3/h4-5,10-11,17H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyMOCZQJIYZVDKNS-LLVKDONJSA-N
XLogP1.98
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
(1R)-1-[3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339609
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
(1S)-1-[3-fluoro-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 78940650
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 63368752
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 62910072
1-[3-bromo-4-[2-hydroxyethyl(2-methoxyethyl)amino]phenyl]ethanol
CID 113467856
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
1-[4-[butyl(2-hydroxyethyl)amino]-3-fluorophenyl]ethanol
CID 61445859
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol (CID 63371146) is (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol is COCCN(CCOC)c1ccc([C@@H](C)O)cc1F.
What is the InChIKey of (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
The InChIKey is MOCZQJIYZVDKNS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(17)12-4-5-14(13(15)10-12)16(6-8-18-2)7-9-19-3/h4-5,10-11,17H,6-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol?
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol has a molecular weight of 271.33 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol is sourced from PubChem (CID 63371146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).