2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol

C10H14FNO3 — CID 84783831

IUPAC2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
SMILESCOc1ccc(O)c(C(O)CCN)c1F
InChIInChI=1S/C10H14FNO3/c1-15-8-3-2-6(13)9(10(8)11)7(14)4-5-12/h2-3,7,13-14H,4-5,12H2,1H3
InChIKeyNSHNUDAFRVCNLJ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.92
Rot. Bonds4

About 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol

2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol (PubChem CID 84783831) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
PubChem CID84783831
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
SMILESCOc1ccc(O)c(C(O)CCN)c1F
InChIInChI=1S/C10H14FNO3/c1-15-8-3-2-6(13)9(10(8)11)7(14)4-5-12/h2-3,7,13-14H,4-5,12H2,1H3
InChIKeyNSHNUDAFRVCNLJ-UHFFFAOYSA-N
XLogP0.92
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832
2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
CID 84776107
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
CID 84679635
4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide
CID 142582976
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine
CID 171215718
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
(1S)-1-(2,6-difluoro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171235352
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol?
The IUPAC name of 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol (CID 84783831) is 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol.
What is the SMILES notation for 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol?
The canonical SMILES for 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol is COc1ccc(O)c(C(O)CCN)c1F.
What is the InChIKey of 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol?
The InChIKey is NSHNUDAFRVCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-15-8-3-2-6(13)9(10(8)11)7(14)4-5-12/h2-3,7,13-14H,4-5,12H2,1H3.
What are the key properties of 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol?
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol has a molecular weight of 215.22 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol is sourced from PubChem (CID 84783831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).