2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol

C17H21NO3 — CID 43193429

IUPAC2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
SMILESCOc1cc(C(C)Nc2cc(C)ccc2OC)ccc1O
InChIInChI=1S/C17H21NO3/c1-11-5-8-16(20-3)14(9-11)18-12(2)13-6-7-15(19)17(10-13)21-4/h5-10,12,18-19H,1-4H3
InChIKeyLUDRKPPPIBGKLF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.89
Rot. Bonds5

About 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol

2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol (PubChem CID 43193429) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
PubChem CID43193429
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol
SMILESCOc1cc(C(C)Nc2cc(C)ccc2OC)ccc1O
InChIInChI=1S/C17H21NO3/c1-11-5-8-16(20-3)14(9-11)18-12(2)13-6-7-15(19)17(10-13)21-4/h5-10,12,18-19H,1-4H3
InChIKeyLUDRKPPPIBGKLF-UHFFFAOYSA-N
XLogP3.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,5-dimethylphenol
CID 106953620
4-[1-(3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 43195420
3-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]-2,6-dimethylphenol
CID 43741825
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-methylaniline
CID 43110887
4-[1-(2-aminoanilino)ethyl]-2-methoxyphenol
CID 163482577
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744
4-[1-(4-fluoro-2-iodoanilino)ethyl]-2-methoxyphenol
CID 79768643
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-2-methoxyphenol
CID 102804235
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
4-[1-(4-bromo-3,5-dimethylanilino)ethyl]-2-methoxyphenol
CID 107572080
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol (CID 43193429) is 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol is COc1cc(C(C)Nc2cc(C)ccc2OC)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol?
The InChIKey is LUDRKPPPIBGKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-5-8-16(20-3)14(9-11)18-12(2)13-6-7-15(19)17(10-13)21-4/h5-10,12,18-19H,1-4H3.
What are the key properties of 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol?
2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(2-methoxy-5-methylanilino)ethyl]phenol is sourced from PubChem (CID 43193429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).