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

C16H21NO2 — CID 67128601

IUPAC2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
SMILESCC[C@@H](NC(CO)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C16H21NO2/c1-3-14(16-10-9-12(2)19-16)17-15(11-18)13-7-5-4-6-8-13/h4-10,14-15,17-18H,3,11H2,1-2H3/t14-,15?/m1/s1
InChIKeyPODCBBSGZIKXAS-GICMACPYSA-N
MW259.35 g/mol
LogP3.36
Rot. Bonds6

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

2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol (PubChem CID 67128601) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
PubChem CID67128601
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
SMILESCC[C@@H](NC(CO)c1ccccc1)c1ccc(C)o1
InChIInChI=1S/C16H21NO2/c1-3-14(16-10-9-12(2)19-16)17-15(11-18)13-7-5-4-6-8-13/h4-10,14-15,17-18H,3,11H2,1-2H3/t14-,15?/m1/s1
InChIKeyPODCBBSGZIKXAS-GICMACPYSA-N
XLogP3.36
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(1R)-1-(4-bromo-5-methylfuran-2-yl)propyl]amino]-2-phenylethanol
CID 59664765
(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-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814
N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43684931
(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
CID 97056665
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-phenylethanol
CID 107093791
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
The IUPAC name of 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol (CID 67128601) is 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol is CC[C@@H](NC(CO)c1ccccc1)c1ccc(C)o1.
What is the InChIKey of 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
The InChIKey is PODCBBSGZIKXAS-GICMACPYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-14(16-10-9-12(2)19-16)17-15(11-18)13-7-5-4-6-8-13/h4-10,14-15,17-18H,3,11H2,1-2H3/t14-,15?/m1/s1.
What are the key properties of 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol?
2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol has a molecular weight of 259.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-2-phenylethanol is sourced from PubChem (CID 67128601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).