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

C17H21NO3 — CID 82957710

IUPAC2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
SMILESCOc1ccc(N(C)C(C)c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-12(13-5-10-16(19)17(11-13)21-4)18(2)14-6-8-15(20-3)9-7-14/h5-12,19H,1-4H3
InChIKeyXPQQHVKNQAVOLA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.61
Rot. Bonds5

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

2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol (PubChem CID 82957710) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
PubChem CID82957710
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
SMILESCOc1ccc(N(C)C(C)c2ccc(O)c(OC)c2)cc1
InChIInChI=1S/C17H21NO3/c1-12(13-5-10-16(19)17(11-13)21-4)18(2)14-6-8-15(20-3)9-7-14/h5-12,19H,1-4H3
InChIKeyXPQQHVKNQAVOLA-UHFFFAOYSA-N
XLogP3.61
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.61
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

4-[1-[bis(2-methylpropyl)amino]ethyl]-2-methoxyphenol
CID 82981648
5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]ethyl]-2-methoxyphenol
CID 79647398
4-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]-2-methoxyphenol
CID 102999085
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
N-butan-2-yl-4-methoxy-N-methylaniline
CID 154139532
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
N-ethyl-2-[1-(4-hydroxy-3-methoxyphenyl)ethyl-methylamino]acetamide
CID 82978392

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol (CID 82957710) is 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol is COc1ccc(N(C)C(C)c2ccc(O)c(OC)c2)cc1.
What is the InChIKey of 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol?
The InChIKey is XPQQHVKNQAVOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(13-5-10-16(19)17(11-13)21-4)18(2)14-6-8-15(20-3)9-7-14/h5-12,19H,1-4H3.
What are the key properties of 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol?
2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol is sourced from PubChem (CID 82957710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).