2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol

C16H21NO2 — CID 75382531

IUPAC2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
SMILESCc1ccc(C(C)NCC(O)c2ccco2)cc1C
InChIInChI=1S/C16H21NO2/c1-11-6-7-14(9-12(11)2)13(3)17-10-15(18)16-5-4-8-19-16/h4-9,13,15,17-18H,10H2,1-3H3
InChIKeyYBRGSHZTSUGEIC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol

2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol (PubChem CID 75382531) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
PubChem CID75382531
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
SMILESCc1ccc(C(C)NCC(O)c2ccco2)cc1C
InChIInChI=1S/C16H21NO2/c1-11-6-7-14(9-12(11)2)13(3)17-10-15(18)16-5-4-8-19-16/h4-9,13,15,17-18H,10H2,1-3H3
InChIKeyYBRGSHZTSUGEIC-UHFFFAOYSA-N
XLogP3.28
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
1-(furan-2-yl)-2-(1-naphthalen-2-ylethylamino)ethanol
CID 110888234
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97160729
(1R)-2-[[(1R)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229543
(1S)-2-[[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229540

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol (CID 75382531) is 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol is Cc1ccc(C(C)NCC(O)c2ccco2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol?
The InChIKey is YBRGSHZTSUGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-6-7-14(9-12(11)2)13(3)17-10-15(18)16-5-4-8-19-16/h4-9,13,15,17-18H,10H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol?
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol has a molecular weight of 259.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 75382531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).