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

C15H15Cl2NO — CID 12526908

IUPAC3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
SMILESCCc1ccc(N)cc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-10-3-5-13(18)7-11(10)9-19-15-6-4-12(16)8-14(15)17/h3-8H,2,9,18H2,1H3
InChIKeyDNRSSXDAEAVJCE-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.72
Rot. Bonds4

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

3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline (PubChem CID 12526908) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline.

Molecular Properties

Compound Name3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
PubChem CID12526908
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
SMILESCCc1ccc(N)cc1COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-2-10-3-5-13(18)7-11(10)9-19-15-6-4-12(16)8-14(15)17/h3-8H,2,9,18H2,1H3
InChIKeyDNRSSXDAEAVJCE-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
3-bromo-4-[(2-chloro-4-methylphenoxy)methyl]aniline
CID 55104427
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethylaniline
CID 12526906
4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]ethanamine
CID 115464873
ethyl (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684776
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]aniline
CID 60791838
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
3-[(4-chloro-2-fluorophenyl)methoxy]-4-methylaniline
CID 114847555
[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322638

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline?
The IUPAC name of 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline (CID 12526908) is 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline.
What is the SMILES notation for 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline?
The canonical SMILES for 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline is CCc1ccc(N)cc1COc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline?
The InChIKey is DNRSSXDAEAVJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-2-10-3-5-13(18)7-11(10)9-19-15-6-4-12(16)8-14(15)17/h3-8H,2,9,18H2,1H3.
What are the key properties of 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline?
3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline has a molecular weight of 296.20 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline is sourced from PubChem (CID 12526908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).