2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol

C17H23NO2 — CID 81399726

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-12(2)14-6-8-15(9-7-14)16(19)11-18-13(3)17-5-4-10-20-17/h4-10,12-13,16,18-19H,11H2,1-3H3/t13-,16?/m0/s1
InChIKeyDOYWHVIENHMTSH-KNVGNIICSA-N
MW273.38 g/mol
LogP3.79
Rot. Bonds6

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 81399726) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
PubChem CID81399726
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CN[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C17H23NO2/c1-12(2)14-6-8-15(9-7-14)16(19)11-18-13(3)17-5-4-10-20-17/h4-10,12-13,16,18-19H,11H2,1-3H3/t13-,16?/m0/s1
InChIKeyDOYWHVIENHMTSH-KNVGNIICSA-N
XLogP3.79
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N-[(1S)-1-(furan-2-yl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876308

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol (CID 81399726) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CN[C@@H](C)c2ccco2)cc1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is DOYWHVIENHMTSH-KNVGNIICSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)14-6-8-15(9-7-14)16(19)11-18-13(3)17-5-4-10-20-17/h4-10,12-13,16,18-19H,11H2,1-3H3/t13-,16?/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 81399726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).