(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol

C16H20BrNO2 — CID 59664765

IUPAC(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
SMILESCC[C@@H](N[C@@H](CO)c1ccccc1)c1cc(Br)c(C)o1
InChIInChI=1S/C16H20BrNO2/c1-3-14(16-9-13(17)11(2)20-16)18-15(10-19)12-7-5-4-6-8-12/h4-9,14-15,18-19H,3,10H2,1-2H3/t14-,15+/m1/s1
InChIKeyPDCWZHJOPHXIBE-CABCVRRESA-N
MW338.25 g/mol
LogP4.12
Rot. Bonds6

About (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol

(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol (PubChem CID 59664765) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
PubChem CID59664765
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
SMILESCC[C@@H](N[C@@H](CO)c1ccccc1)c1cc(Br)c(C)o1
InChIInChI=1S/C16H20BrNO2/c1-3-14(16-9-13(17)11(2)20-16)18-15(10-19)12-7-5-4-6-8-12/h4-9,14-15,18-19H,3,10H2,1-2H3/t14-,15+/m1/s1
InChIKeyPDCWZHJOPHXIBE-CABCVRRESA-N
XLogP4.12
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 67128601
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(1R)-1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1R)-1-phenyl-2-trimethylsilyloxyethyl]propan-1-amine
CID 70803793
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(2R)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788667
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol (CID 59664765) is (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol is CC[C@@H](N[C@@H](CO)c1ccccc1)c1cc(Br)c(C)o1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
The InChIKey is PDCWZHJOPHXIBE-CABCVRRESA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-3-14(16-9-13(17)11(2)20-16)18-15(10-19)12-7-5-4-6-8-12/h4-9,14-15,18-19H,3,10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol has a molecular weight of 338.25 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol is sourced from PubChem (CID 59664765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).