3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline

C18H24N2O — CID 43587259

IUPAC3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
SMILESCCc1ccc(CN(C)CCOc2cccc(N)c2)cc1
InChIInChI=1S/C18H24N2O/c1-3-15-7-9-16(10-8-15)14-20(2)11-12-21-18-6-4-5-17(19)13-18/h4-10,13H,3,11-12,14,19H2,1-2H3
InChIKeyQAYLYUAIAGONJL-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.34
Rot. Bonds7

About 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline

3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline (PubChem CID 43587259) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline.

Molecular Properties

Compound Name3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
PubChem CID43587259
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
SMILESCCc1ccc(CN(C)CCOc2cccc(N)c2)cc1
InChIInChI=1S/C18H24N2O/c1-3-15-7-9-16(10-8-15)14-20(2)11-12-21-18-6-4-5-17(19)13-18/h4-10,13H,3,11-12,14,19H2,1-2H3
InChIKeyQAYLYUAIAGONJL-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
3-[2-(dimethylamino)ethoxy]aniline;dihydrochloride
CID 66649609
3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propoxy]aniline
CID 61438287
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
CID 43374542
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline?
The IUPAC name of 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline (CID 43587259) is 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline.
What is the SMILES notation for 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline?
The canonical SMILES for 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline is CCc1ccc(CN(C)CCOc2cccc(N)c2)cc1.
What is the InChIKey of 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline?
The InChIKey is QAYLYUAIAGONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-15-7-9-16(10-8-15)14-20(2)11-12-21-18-6-4-5-17(19)13-18/h4-10,13H,3,11-12,14,19H2,1-2H3.
What are the key properties of 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline?
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline is sourced from PubChem (CID 43587259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).