5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol

C17H21NO3 — CID 107706023

IUPAC5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
SMILESCCOc1cccc(CNC(C)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C17H21NO3/c1-3-21-17-6-4-5-13(7-17)11-18-12(2)14-8-15(19)10-16(20)9-14/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyCFYOFIOAGILAND-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.35
Rot. Bonds6

About 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol

5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol (PubChem CID 107706023) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
PubChem CID107706023
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
SMILESCCOc1cccc(CNC(C)c2cc(O)cc(O)c2)c1
InChIInChI=1S/C17H21NO3/c1-3-21-17-6-4-5-13(7-17)11-18-12(2)14-8-15(19)10-16(20)9-14/h4-10,12,18-20H,3,11H2,1-2H3
InChIKeyCFYOFIOAGILAND-UHFFFAOYSA-N
XLogP3.35
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 81382438
2-[1-[(3-ethoxyphenyl)methylamino]ethyl]-4-methylphenol
CID 60873911
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
4-[3-[[1-(3-ethoxyphenyl)ethylamino]methyl]phenoxy]butanenitrile
CID 119109131
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol (CID 107706023) is 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol is CCOc1cccc(CNC(C)c2cc(O)cc(O)c2)c1.
What is the InChIKey of 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
The InChIKey is CFYOFIOAGILAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-21-17-6-4-5-13(7-17)11-18-12(2)14-8-15(19)10-16(20)9-14/h4-10,12,18-20H,3,11H2,1-2H3.
What are the key properties of 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol?
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol has a molecular weight of 287.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).