[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol

C14H22FNO3 — CID 55005532

IUPAC[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
SMILESCOCCN(c1ccc(F)cc1CO)C(C)COC
InChIInChI=1S/C14H22FNO3/c1-11(10-19-3)16(6-7-18-2)14-5-4-13(15)8-12(14)9-17/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyCNOIDTOSVGMAFR-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.81
Rot. Bonds8

About [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol

[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol (PubChem CID 55005532) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
PubChem CID55005532
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
SMILESCOCCN(c1ccc(F)cc1CO)C(C)COC
InChIInChI=1S/C14H22FNO3/c1-11(10-19-3)16(6-7-18-2)14-5-4-13(15)8-12(14)9-17/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyCNOIDTOSVGMAFR-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005430
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 55000117
4-(bromomethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 107082042
4-(chloromethyl)-2-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 55005281
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-5-fluorophenyl]ethanol
CID 55010825
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54999779
3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 55004953
2-(aminomethyl)-N-(1-cyclopropylethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 55002820
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 102919797
[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 107698403

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol (CID 55005532) is [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol is COCCN(c1ccc(F)cc1CO)C(C)COC.
What is the InChIKey of [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
The InChIKey is CNOIDTOSVGMAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(10-19-3)16(6-7-18-2)14-5-4-13(15)8-12(14)9-17/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol has a molecular weight of 271.33 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 55005532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).