5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol

C14H17NO3 — CID 107706935

IUPAC5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
SMILESCC(N[C@@H](C)c1ccco1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H17NO3/c1-9(11-6-12(16)8-13(17)7-11)15-10(2)14-4-3-5-18-14/h3-10,15-17H,1-2H3/t9?,10-/m0/s1
InChIKeyNOIRGERLWZLDRE-AXDSSHIGSA-N
MW247.29 g/mol
LogP3.10
Rot. Bonds4

About 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol

5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol (PubChem CID 107706935) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
PubChem CID107706935
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
SMILESCC(N[C@@H](C)c1ccco1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H17NO3/c1-9(11-6-12(16)8-13(17)7-11)15-10(2)14-4-3-5-18-14/h3-10,15-17H,1-2H3/t9?,10-/m0/s1
InChIKeyNOIRGERLWZLDRE-AXDSSHIGSA-N
XLogP3.10
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-1-(furan-2-yl)ethanamine
CID 81301586
(1R)-N-[1-(furan-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81350046
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
4-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81403637
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
1-(3-bromo-4-fluorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403303
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[1-(furan-2-yl)ethyl]ethanamine
CID 43535500
(1S)-N-[1-(furan-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81376667

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol (CID 107706935) is 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol is CC(N[C@@H](C)c1ccco1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol?
The InChIKey is NOIRGERLWZLDRE-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(11-6-12(16)8-13(17)7-11)15-10(2)14-4-3-5-18-14/h3-10,15-17H,1-2H3/t9?,10-/m0/s1.
What are the key properties of 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol?
5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol has a molecular weight of 247.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[(1S)-1-(furan-2-yl)ethyl]amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).