[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol

C14H22FNO3 — CID 55005430

IUPAC[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
SMILESCOCCN(c1ccc(CO)cc1F)C(C)COC
InChIInChI=1S/C14H22FNO3/c1-11(10-19-3)16(6-7-18-2)14-5-4-12(9-17)8-13(14)15/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyFIUOKRDZNMRCNG-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.81
Rot. Bonds8

About [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol

[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol (PubChem CID 55005430) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
PubChem CID55005430
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name[3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
SMILESCOCCN(c1ccc(CO)cc1F)C(C)COC
InChIInChI=1S/C14H22FNO3/c1-11(10-19-3)16(6-7-18-2)14-5-4-12(9-17)8-13(14)15/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyFIUOKRDZNMRCNG-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

Computed Properties (RDKit)

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

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Related Compounds

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
[5-fluoro-2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol
CID 55005532
3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzonitrile
CID 55004953
(1R)-1-[4-[butan-2-yl(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 78940624
1-N-butan-2-yl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 55001534
[3-chloro-4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 81151908
2-[(1S)-1-aminoethyl]-3-fluoro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 78935533
(1S)-1-[3-fluoro-4-[2-methoxyethyl(pentan-3-yl)amino]phenyl]ethanol
CID 78940650
[4-[ethyl(1-methoxypropan-2-yl)amino]-3-nitrophenyl]methanol
CID 55010631
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79178570

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol (CID 55005430) is [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol is COCCN(c1ccc(CO)cc1F)C(C)COC.
What is the InChIKey of [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
The InChIKey is FIUOKRDZNMRCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(10-19-3)16(6-7-18-2)14-5-4-12(9-17)8-13(14)15/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol?
[3-fluoro-4-[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 [3-fluoro-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]phenyl]methanol is sourced from PubChem (CID 55005430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).