2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol

C13H17BrFNO — CID 102676936

IUPAC2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1ccc(F)cc1Br)C1CCC1
InChIInChI=1S/C13H17BrFNO/c14-13-8-11(15)5-4-10(13)9-16(6-7-17)12-2-1-3-12/h4-5,8,12,17H,1-3,6-7,9H2
InChIKeyTZBYLAIGUWVTNO-UHFFFAOYSA-N
MW302.19 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol

2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol (PubChem CID 102676936) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
PubChem CID102676936
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1ccc(F)cc1Br)C1CCC1
InChIInChI=1S/C13H17BrFNO/c14-13-8-11(15)5-4-10(13)9-16(6-7-17)12-2-1-3-12/h4-5,8,12,17H,1-3,6-7,9H2
InChIKeyTZBYLAIGUWVTNO-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 60694126
3-bromo-4-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 102864005
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
2-[(2-bromo-4-nitrophenyl)methyl-cyclopentylamino]ethanol
CID 62013900
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
2-[(4-amino-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 64768267
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[(4-chloro-2-fluorophenyl)methyl-cyclohexylamino]ethanol
CID 114858042
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66215692

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol (CID 102676936) is 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol is OCCN(Cc1ccc(F)cc1Br)C1CCC1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol?
The InChIKey is TZBYLAIGUWVTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-13-8-11(15)5-4-10(13)9-16(6-7-17)12-2-1-3-12/h4-5,8,12,17H,1-3,6-7,9H2.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol?
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol has a molecular weight of 302.19 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102676936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).