(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol

C14H22FNO3 — CID 78940044

IUPAC(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
SMILESCOCCN(CCOC)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C14H22FNO3/c1-11(17)13-10-12(15)4-5-14(13)16(6-8-18-2)7-9-19-3/h4-5,10-11,17H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyOSGNSYTYNVCLAH-LLVKDONJSA-N
MW271.33 g/mol
LogP1.98
Rot. Bonds8

About (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol

(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol (PubChem CID 78940044) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
PubChem CID78940044
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
SMILESCOCCN(CCOC)c1ccc(F)cc1[C@@H](C)O
InChIInChI=1S/C14H22FNO3/c1-11(17)13-10-12(15)4-5-14(13)16(6-8-18-2)7-9-19-3/h4-5,10-11,17H,6-9H2,1-3H3/t11-/m1/s1
InChIKeyOSGNSYTYNVCLAH-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

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Related Compounds

2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293
2-[(1R)-1-aminoethyl]-N-ethyl-4-fluoro-N-(2-methoxyethyl)aniline
CID 78934827
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
CID 55010825
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-N-methylanilino]-3-methoxypropan-2-ol
CID 63372729
2-[N-(cyanomethyl)-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]acetonitrile
CID 78939218
4-fluoro-N-(2-methoxyethyl)-2-[1-(methylamino)ethyl]-N-prop-2-enylaniline
CID 103339223
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
1-[5-bromo-2-[2-methoxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 103339600
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol (CID 78940044) is (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol is COCCN(CCOC)c1ccc(F)cc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is OSGNSYTYNVCLAH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(17)13-10-12(15)4-5-14(13)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-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol?
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-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-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 78940044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).