2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol

C15H19NO3 — CID 81403520

IUPAC2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
SMILESCCOc1cc(CN[C@@H](C)c2ccco2)ccc1O
InChIInChI=1S/C15H19NO3/c1-3-18-15-9-12(6-7-13(15)17)10-16-11(2)14-5-4-8-19-14/h4-9,11,16-17H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyFFTBDWZMBMOEMM-NSHDSACASA-N
MW261.32 g/mol
LogP3.23
Rot. Bonds6

About 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol

2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol (PubChem CID 81403520) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
PubChem CID81403520
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
SMILESCCOc1cc(CN[C@@H](C)c2ccco2)ccc1O
InChIInChI=1S/C15H19NO3/c1-3-18-15-9-12(6-7-13(15)17)10-16-11(2)14-5-4-8-19-14/h4-9,11,16-17H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyFFTBDWZMBMOEMM-NSHDSACASA-N
XLogP3.23
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-ethoxy-4-[(1-pyridin-3-ylethylamino)methyl]phenol
CID 43181668
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol (CID 81403520) is 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol is CCOc1cc(CN[C@@H](C)c2ccco2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol?
The InChIKey is FFTBDWZMBMOEMM-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-18-15-9-12(6-7-13(15)17)10-16-11(2)14-5-4-8-19-14/h4-9,11,16-17H,3,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol?
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81403520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).