5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol

C13H19BrFNO2 — CID 103391559

IUPAC5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFNO2/c1-18-9-13(17,5-2-6-16)8-10-7-11(15)3-4-12(10)14/h3-4,7,17H,2,5-6,8-9,16H2,1H3
InChIKeyORVRKCPOOWFTES-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.25
Rot. Bonds7

About 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol

5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol (PubChem CID 103391559) has the molecular formula C13H19BrFNO2 and a molecular weight of 320.20 g/mol. Its IUPAC name is 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol.

Molecular Properties

Compound Name5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol
PubChem CID103391559
Molecular FormulaC13H19BrFNO2
Molecular Weight320.20 g/mol
Exact Mass319.06
IUPAC Name5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol
SMILESCOCC(O)(CCCN)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFNO2/c1-18-9-13(17,5-2-6-16)8-10-7-11(15)3-4-12(10)14/h3-4,7,17H,2,5-6,8-9,16H2,1H3
InChIKeyORVRKCPOOWFTES-UHFFFAOYSA-N
XLogP2.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2,5-difluorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391315
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
1-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)butan-2-ol
CID 102617315
1-(2-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 65020022
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 83160097
6-amino-1-(2-bromo-5-fluorophenyl)-3-methylhexan-2-one
CID 116613456
1-(2-bromo-5-fluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 65146449
4-(3-bromo-2,6-difluorophenyl)-4-fluoro-5-methoxypentan-1-amine
CID 106943969
1-(2-bromo-5-fluorophenyl)-2-(2-bromophenyl)propan-2-ol
CID 65144862
1-bromo-4-fluoro-2-(methoxymethoxymethyl)benzene
CID 11845573
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol?
The IUPAC name of 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol (CID 103391559) is 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol.
What is the SMILES notation for 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol?
The canonical SMILES for 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol is COCC(O)(CCCN)Cc1cc(F)ccc1Br.
What is the InChIKey of 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol?
The InChIKey is ORVRKCPOOWFTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO2/c1-18-9-13(17,5-2-6-16)8-10-7-11(15)3-4-12(10)14/h3-4,7,17H,2,5-6,8-9,16H2,1H3.
What are the key properties of 5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol?
5-amino-1-(2-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol has a molecular weight of 320.20 g/mol, XLogP of 2.25, 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-bromo-5-fluorophenyl)-2-(methoxymethyl)pentan-2-ol is sourced from PubChem (CID 103391559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).