4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol

C17H21NO3 — CID 175433154

IUPAC4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-4-18(12-13-5-8-15(19)9-6-13)14-7-10-16(20-2)17(11-14)21-3/h5-11,19H,4,12H2,1-3H3
InChIKeyFHOOUCAZRRKLDN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.44
Rot. Bonds6

About 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol

4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol (PubChem CID 175433154) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol.

Molecular Properties

Compound Name4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
PubChem CID175433154
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
SMILESCCN(Cc1ccc(O)cc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H21NO3/c1-4-18(12-13-5-8-15(19)9-6-13)14-7-10-16(20-2)17(11-14)21-3/h5-11,19H,4,12H2,1-3H3
InChIKeyFHOOUCAZRRKLDN-UHFFFAOYSA-N
XLogP3.44
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
ethane;2-(N-ethyl-3,4-dimethoxyanilino)ethanol
CID 142222447
N-ethyl-N-[[3-fluoro-4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]-3,4-dimethoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915104
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N-(3,4-dimethoxyphenyl)-N-ethyl-4-hydroxybenzamide
CID 142915133
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
CID 63456998
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol?
The IUPAC name of 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol (CID 175433154) is 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol.
What is the SMILES notation for 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol?
The canonical SMILES for 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol is CCN(Cc1ccc(O)cc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol?
The InChIKey is FHOOUCAZRRKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-18(12-13-5-8-15(19)9-6-13)14-7-10-16(20-2)17(11-14)21-3/h5-11,19H,4,12H2,1-3H3.
What are the key properties of 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol?
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol is sourced from PubChem (CID 175433154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).