3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol

C12H18FNO2 — CID 102981138

IUPAC3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
SMILESCCC(N)C(CO)Oc1cc(F)ccc1C
InChIInChI=1S/C12H18FNO2/c1-3-10(14)12(7-15)16-11-6-9(13)5-4-8(11)2/h4-6,10,12,15H,3,7,14H2,1-2H3
InChIKeyXBLCRDOBHOTASO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol

3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol (PubChem CID 102981138) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
PubChem CID102981138
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol
SMILESCCC(N)C(CO)Oc1cc(F)ccc1C
InChIInChI=1S/C12H18FNO2/c1-3-10(14)12(7-15)16-11-6-9(13)5-4-8(11)2/h4-6,10,12,15H,3,7,14H2,1-2H3
InChIKeyXBLCRDOBHOTASO-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
CID 102980496
3-amino-2-(5-chloro-2-methylphenoxy)hexan-1-ol
CID 114358313
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
2-(5-fluoro-2-methylphenoxy)pentan-3-ol
CID 102983322
3-amino-4-methoxy-2-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 114358201
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
3-amino-4,4-dimethyl-2-(2-methyl-5-propan-2-ylphenoxy)pentan-1-ol
CID 114358206
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
4-amino-2-(5-fluoro-2-methylphenoxy)butanoic acid
CID 102988005
1-(5-fluoro-2-methylphenyl)-3-methoxypentan-2-amine
CID 105374351
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol?
The IUPAC name of 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol (CID 102981138) is 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol?
The canonical SMILES for 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol is CCC(N)C(CO)Oc1cc(F)ccc1C.
What is the InChIKey of 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol?
The InChIKey is XBLCRDOBHOTASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-10(14)12(7-15)16-11-6-9(13)5-4-8(11)2/h4-6,10,12,15H,3,7,14H2,1-2H3.
What are the key properties of 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol?
3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-fluoro-2-methylphenoxy)pentan-1-ol is sourced from PubChem (CID 102981138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).