5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol

C13H19F2NO2 — CID 103391315

IUPAC5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-18-9-13(17,5-2-6-16)8-10-7-11(14)3-4-12(10)15/h3-4,7,17H,2,5-6,8-9,16H2,1H3
InChIKeyPGMTYUTZMHCYSM-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.62
Rot. Bonds7

About 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol

5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol (PubChem CID 103391315) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol
PubChem CID103391315
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-18-9-13(17,5-2-6-16)8-10-7-11(14)3-4-12(10)15/h3-4,7,17H,2,5-6,8-9,16H2,1H3
InChIKeyPGMTYUTZMHCYSM-UHFFFAOYSA-N
XLogP1.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391559
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
5-amino-1-(2-chloro-4-methylphenyl)-2-(methoxymethyl)pentan-2-ol
CID 106866698
1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
CID 102617315
5-amino-1-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-2-ol
CID 103391368
2-[(2,5-difluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640414
N-[(2,5-difluorophenyl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115608052
4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
CID 103392579
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117287231
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391462
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol?
The IUPAC name of 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol (CID 103391315) is 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol?
The canonical SMILES for 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol is COCC(O)(CCCN)Cc1cc(F)ccc1F.
What is the InChIKey of 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol?
The InChIKey is PGMTYUTZMHCYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-18-9-13(17,5-2-6-16)8-10-7-11(14)3-4-12(10)15/h3-4,7,17H,2,5-6,8-9,16H2,1H3.
What are the key properties of 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol?
5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol has a molecular weight of 259.30 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol is sourced from PubChem (CID 103391315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).