4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol

C13H20FNO2 — CID 113389401

IUPAC4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
SMILESCOc1cccc(F)c1C(C)(CCO)C(C)N
InChIInChI=1S/C13H20FNO2/c1-9(15)13(2,7-8-16)12-10(14)5-4-6-11(12)17-3/h4-6,9,16H,7-8,15H2,1-3H3
InChIKeyUDSLCTREDLEMBC-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.82
Rot. Bonds5

About 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol

4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol (PubChem CID 113389401) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
PubChem CID113389401
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
SMILESCOc1cccc(F)c1C(C)(CCO)C(C)N
InChIInChI=1S/C13H20FNO2/c1-9(15)13(2,7-8-16)12-10(14)5-4-6-11(12)17-3/h4-6,9,16H,7-8,15H2,1-3H3
InChIKeyUDSLCTREDLEMBC-UHFFFAOYSA-N
XLogP1.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(2-fluoro-6-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113389409
3-(ethylamino)-2-(2-fluoro-6-methoxyphenyl)butan-2-ol
CID 113389301
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
2-(butan-2-ylamino)-2-(2-fluoro-6-methoxyphenyl)propanamide
CID 113388819
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]propane-1,3-diol
CID 112700459
[1-(2-fluoro-6-methoxyphenyl)-4,4-dimethylpentyl]hydrazine
CID 105252498
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol?
The IUPAC name of 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol (CID 113389401) is 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol is COc1cccc(F)c1C(C)(CCO)C(C)N.
What is the InChIKey of 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol?
The InChIKey is UDSLCTREDLEMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(15)13(2,7-8-16)12-10(14)5-4-6-11(12)17-3/h4-6,9,16H,7-8,15H2,1-3H3.
What are the key properties of 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol?
4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 113389401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).