2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline

C17H21NO — CID 118244149

IUPAC2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
SMILESCCc1cccc(N)c1COc1ccc(C)cc1C
InChIInChI=1S/C17H21NO/c1-4-14-6-5-7-16(18)15(14)11-19-17-9-8-12(2)10-13(17)3/h5-10H,4,11,18H2,1-3H3
InChIKeyOFUFKVSATQXDKP-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.03
Rot. Bonds4

About 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline

2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline (PubChem CID 118244149) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
PubChem CID118244149
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
SMILESCCc1cccc(N)c1COc1ccc(C)cc1C
InChIInChI=1S/C17H21NO/c1-4-14-6-5-7-16(18)15(14)11-19-17-9-8-12(2)10-13(17)3/h5-10H,4,11,18H2,1-3H3
InChIKeyOFUFKVSATQXDKP-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.03
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

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
4-[(2-amino-6-methylphenyl)methoxy]-3-methylphenol
CID 129110100
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 118244198
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
CID 129039597
4-[(2-amino-6-methoxyphenyl)methoxy]-3-methylphenol
CID 129110059
3-fluoro-2-[(2,3,5-trimethylphenoxy)methyl]aniline
CID 63331444
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645816
2-[(2-chloro-4,5-dimethylphenoxy)methyl]aniline;2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline;2-[(2-chloro-4-methylphenoxy)methyl]aniline;2-[(2,5-dichloro-4-methylphenoxy)methyl]aniline;2-[(2,4-dimethylphenoxy)methyl]aniline;2-[(2-ethyl-4-methylphenoxy)methyl]aniline;2-[(2,4,5-trimethylphenoxy)methyl]aniline
CID 159037696
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline (CID 118244149) is 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline is CCc1cccc(N)c1COc1ccc(C)cc1C.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline?
The InChIKey is OFUFKVSATQXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-14-6-5-7-16(18)15(14)11-19-17-9-8-12(2)10-13(17)3/h5-10H,4,11,18H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline?
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline is sourced from PubChem (CID 118244149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).