2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

C18H23NO5 — CID 118422161

IUPAC2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(N)c1O
InChIInChI=1S/C18H23NO5/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h7-10,20H,5-6,19H2,1-4H3
InChIKeyBQKYLOLBOMVSOU-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.79
Rot. Bonds7

About 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (PubChem CID 118422161) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
PubChem CID118422161
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(N)c1O
InChIInChI=1S/C18H23NO5/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h7-10,20H,5-6,19H2,1-4H3
InChIKeyBQKYLOLBOMVSOU-UHFFFAOYSA-N
XLogP2.79
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]methanol
CID 23044013
1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
CID 11373561
5-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870539
4-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
CID 169091123
1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
CID 172870474
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
1-[2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethanone
CID 135057699
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022
4-[2-(2-amino-3-methoxyphenyl)ethyl]-2,6-ditert-butylphenol
CID 19960491
[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] hydrogen sulfate
CID 24820748

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The IUPAC name of 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol (CID 118422161) is 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The canonical SMILES for 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(N)c1O.
What is the InChIKey of 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
The InChIKey is BQKYLOLBOMVSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h7-10,20H,5-6,19H2,1-4H3.
What are the key properties of 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol?
2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol has a molecular weight of 333.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol is sourced from PubChem (CID 118422161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).