2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol

C17H21NO3 — CID 60931979

IUPAC2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
SMILESCCOc1cc(CNc2ccc(C)cc2OC)ccc1O
InChIInChI=1S/C17H21NO3/c1-4-21-17-10-13(6-8-15(17)19)11-18-14-7-5-12(2)9-16(14)20-3/h5-10,18-19H,4,11H2,1-3H3
InChIKeyYXMBDHOLRNASLC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.72
Rot. Bonds6

About 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol

2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol (PubChem CID 60931979) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
PubChem CID60931979
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
SMILESCCOc1cc(CNc2ccc(C)cc2OC)ccc1O
InChIInChI=1S/C17H21NO3/c1-4-21-17-10-13(6-8-15(17)19)11-18-14-7-5-12(2)9-16(14)20-3/h5-10,18-19H,4,11H2,1-3H3
InChIKeyYXMBDHOLRNASLC-UHFFFAOYSA-N
XLogP3.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol (CID 60931979) is 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol is CCOc1cc(CNc2ccc(C)cc2OC)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol?
The InChIKey is YXMBDHOLRNASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-17-10-13(6-8-15(17)19)11-18-14-7-5-12(2)9-16(14)20-3/h5-10,18-19H,4,11H2,1-3H3.
What are the key properties of 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol?
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol is sourced from PubChem (CID 60931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).