3-[(4-ethylphenoxy)methyl]-2-methylaniline

C16H19NO — CID 43509295

IUPAC3-[(4-ethylphenoxy)methyl]-2-methylaniline
SMILESCCc1ccc(OCc2cccc(N)c2C)cc1
InChIInChI=1S/C16H19NO/c1-3-13-7-9-15(10-8-13)18-11-14-5-4-6-16(17)12(14)2/h4-10H,3,11,17H2,1-2H3
InChIKeyANHZISYKSJIAHU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.72
Rot. Bonds4

About 3-[(4-ethylphenoxy)methyl]-2-methylaniline

3-[(4-ethylphenoxy)methyl]-2-methylaniline (PubChem CID 43509295) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(4-ethylphenoxy)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-[(4-ethylphenoxy)methyl]-2-methylaniline
PubChem CID43509295
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-[(4-ethylphenoxy)methyl]-2-methylaniline
SMILESCCc1ccc(OCc2cccc(N)c2C)cc1
InChIInChI=1S/C16H19NO/c1-3-13-7-9-15(10-8-13)18-11-14-5-4-6-16(17)12(14)2/h4-10H,3,11,17H2,1-2H3
InChIKeyANHZISYKSJIAHU-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
3-(1,3-benzodioxol-5-yloxymethyl)-2-methylaniline
CID 43509360
3-ethyl-2-methylaniline
CID 19879636
3-[(3-chloro-4-fluorophenoxy)methyl]-2-methylaniline
CID 55220354
3-(methoxymethyl)-2-methylaniline
CID 14801184
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
2-[[4-(4-ethylphenyl)phenoxy]methyl]benzene-1,4-diamine
CID 58289288
3-[(4-ethylphenyl)methylsulfanyl]-2-methylaniline
CID 79143941
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
3-[(4-ethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107116034
3-[(3-ethylphenoxy)methyl]-2-fluoroaniline
CID 107347892

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenoxy)methyl]-2-methylaniline?
The IUPAC name of 3-[(4-ethylphenoxy)methyl]-2-methylaniline (CID 43509295) is 3-[(4-ethylphenoxy)methyl]-2-methylaniline.
What is the SMILES notation for 3-[(4-ethylphenoxy)methyl]-2-methylaniline?
The canonical SMILES for 3-[(4-ethylphenoxy)methyl]-2-methylaniline is CCc1ccc(OCc2cccc(N)c2C)cc1.
What is the InChIKey of 3-[(4-ethylphenoxy)methyl]-2-methylaniline?
The InChIKey is ANHZISYKSJIAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-13-7-9-15(10-8-13)18-11-14-5-4-6-16(17)12(14)2/h4-10H,3,11,17H2,1-2H3.
What are the key properties of 3-[(4-ethylphenoxy)methyl]-2-methylaniline?
3-[(4-ethylphenoxy)methyl]-2-methylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenoxy)methyl]-2-methylaniline is sourced from PubChem (CID 43509295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).