2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol

C17H21NO2 — CID 43194154

IUPAC2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-11-5-6-14(9-12(11)2)18-13(3)16-10-15(20-4)7-8-17(16)19/h5-10,13,18-19H,1-4H3
InChIKeyBQTDHNQKFAWONA-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.19
Rot. Bonds4

About 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol

2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol (PubChem CID 43194154) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
PubChem CID43194154
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-11-5-6-14(9-12(11)2)18-13(3)16-10-15(20-4)7-8-17(16)19/h5-10,13,18-19H,1-4H3
InChIKeyBQTDHNQKFAWONA-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-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol
CID 66252042
2-[1-(2,4-dimethoxyanilino)ethyl]-4-methylphenol
CID 43504604
3-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43102736
2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660
2-[1-(4-fluoro-3-methylanilino)ethyl]benzene-1,4-diol
CID 62810903
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145
2-[1-(3-aminopropylamino)ethyl]-4-methoxyphenol
CID 60889873

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol (CID 43194154) is 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol?
The InChIKey is BQTDHNQKFAWONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11-5-6-14(9-12(11)2)18-13(3)16-10-15(20-4)7-8-17(16)19/h5-10,13,18-19H,1-4H3.
What are the key properties of 2-[1-(3,4-dimethylanilino)ethyl]-4-methoxyphenol?
2-[1-(3,4-dimethylanilino)ethyl]-4-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-(3,4-dimethylanilino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 43194154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).