(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol

C11H15BrFNO — CID 171267227

IUPAC(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-2-3-10(15)11(14)7-4-5-8(12)9(13)6-7/h4-6,10-11,15H,2-3,14H2,1H3/t10-,11+/m1/s1
InChIKeyQLKXLNXZSIZTBQ-MNOVXSKESA-N
MW276.15 g/mol
LogP2.75
Rot. Bonds4

About (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol

(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol (PubChem CID 171267227) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
PubChem CID171267227
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO/c1-2-3-10(15)11(14)7-4-5-8(12)9(13)6-7/h4-6,10-11,15H,2-3,14H2,1H3/t10-,11+/m1/s1
InChIKeyQLKXLNXZSIZTBQ-MNOVXSKESA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)-5-methylhexan-2-ol
CID 171267231
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
(1S)-1-(4-bromo-3-fluorophenyl)butan-1-amine
CID 130730633
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171161304
ethyl (3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-fluoropropanoate
CID 171240248
(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
CID 171159915
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 171263562
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171221336

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol (CID 171267227) is (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol is CCC[C@@H](O)[C@@H](N)c1ccc(Br)c(F)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol?
The InChIKey is QLKXLNXZSIZTBQ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-2-3-10(15)11(14)7-4-5-8(12)9(13)6-7/h4-6,10-11,15H,2-3,14H2,1H3/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol?
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol has a molecular weight of 276.15 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 171267227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).