2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol

C17H21NO2 — CID 43201643

IUPAC2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)Nc2cc(C)ccc2C)c(O)c1
InChIInChI=1S/C17H21NO2/c1-11-5-6-12(2)16(9-11)18-13(3)15-8-7-14(20-4)10-17(15)19/h5-10,13,18-19H,1-4H3
InChIKeyDGGXSAGPQOQUFG-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.19
Rot. Bonds4

About 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol

2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol (PubChem CID 43201643) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
PubChem CID43201643
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
SMILESCOc1ccc(C(C)Nc2cc(C)ccc2C)c(O)c1
InChIInChI=1S/C17H21NO2/c1-11-5-6-12(2)16(9-11)18-13(3)15-8-7-14(20-4)10-17(15)19/h5-10,13,18-19H,1-4H3
InChIKeyDGGXSAGPQOQUFG-UHFFFAOYSA-N
XLogP4.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,5-dimethylanilino)ethyl]phenol
CID 43196548
2-[1-(2,5-dichloro-4-methylanilino)ethyl]-5-methoxyphenol
CID 104726376
2-[1-(2,3-difluoroanilino)ethyl]-5-methoxyphenol
CID 61076797
2-[1-(2,4-dibromoanilino)ethyl]-5-methoxyphenol
CID 43683000
3-[1-(2-hydroxy-4-methylphenyl)ethylamino]-4-methylbenzonitrile
CID 62104639
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
N-[1-(2,4-dimethylphenyl)ethyl]-2,4-dimethoxyaniline
CID 43191590
2-[1-(2-chloro-4-iodoanilino)ethyl]-5-methoxyphenol
CID 43733549
2-[1-(4-chloro-2-methoxy-5-methylanilino)ethyl]-5-methylphenol
CID 43103443
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127
4-[1-(5-chloro-2-methylanilino)ethyl]benzene-1,3-diol
CID 43189464
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol (CID 43201643) is 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol is COc1ccc(C(C)Nc2cc(C)ccc2C)c(O)c1.
What is the InChIKey of 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol?
The InChIKey is DGGXSAGPQOQUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-5-6-12(2)16(9-11)18-13(3)15-8-7-14(20-4)10-17(15)19/h5-10,13,18-19H,1-4H3.
What are the key properties of 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol?
2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol has a molecular weight of 271.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 43201643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).