6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol

C10H14FNO3 — CID 84680912

IUPAC6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(C(O)CCN)c1O
InChIInChI=1S/C10H14FNO3/c1-15-10-7(11)3-2-6(9(10)14)8(13)4-5-12/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyZFVNTGGTHTXWCU-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.92
Rot. Bonds4

About 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol

6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol (PubChem CID 84680912) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
PubChem CID84680912
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol
SMILESCOc1c(F)ccc(C(O)CCN)c1O
InChIInChI=1S/C10H14FNO3/c1-15-10-7(11)3-2-6(9(10)14)8(13)4-5-12/h2-3,8,13-14H,4-5,12H2,1H3
InChIKeyZFVNTGGTHTXWCU-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

(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460
2-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290019
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol?
The IUPAC name of 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol (CID 84680912) is 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol.
What is the SMILES notation for 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol?
The canonical SMILES for 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol is COc1c(F)ccc(C(O)CCN)c1O.
What is the InChIKey of 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol?
The InChIKey is ZFVNTGGTHTXWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-15-10-7(11)3-2-6(9(10)14)8(13)4-5-12/h2-3,8,13-14H,4-5,12H2,1H3.
What are the key properties of 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol?
6-(3-amino-1-hydroxypropyl)-3-fluoro-2-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 6-(3-amino-1-hydroxypropyl)-3-fluoro-2-methoxyphenol is sourced from PubChem (CID 84680912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).