1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol

C15H19NO2 — CID 81360536

IUPAC1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
SMILESCc1cccc([C@H](C)NCC(O)c2ccco2)c1
InChIInChI=1S/C15H19NO2/c1-11-5-3-6-13(9-11)12(2)16-10-14(17)15-7-4-8-18-15/h3-9,12,14,16-17H,10H2,1-2H3/t12-,14?/m0/s1
InChIKeyFLSHFSNDJQXBFA-NBFOIZRFSA-N
MW245.32 g/mol
LogP2.97
Rot. Bonds5

About 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol

1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol (PubChem CID 81360536) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
PubChem CID81360536
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
SMILESCc1cccc([C@H](C)NCC(O)c2ccco2)c1
InChIInChI=1S/C15H19NO2/c1-11-5-3-6-13(9-11)12(2)16-10-14(17)15-7-4-8-18-15/h3-9,12,14,16-17H,10H2,1-2H3/t12-,14?/m0/s1
InChIKeyFLSHFSNDJQXBFA-NBFOIZRFSA-N
XLogP2.97
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
CID 111441141
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
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
2-(furan-2-yl)-N-[1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylethanamine
CID 112831610
1-(4-chlorophenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360889
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol (CID 81360536) is 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol is Cc1cccc([C@H](C)NCC(O)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol?
The InChIKey is FLSHFSNDJQXBFA-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-5-3-6-13(9-11)12(2)16-10-14(17)15-7-4-8-18-15/h3-9,12,14,16-17H,10H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol?
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol has a molecular weight of 245.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 81360536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).