2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline

C15H15Cl2NO — CID 104726919

IUPAC2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
SMILESCc1cc(Cl)c(NCCOc2ccccc2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-11-9-14(17)15(10-13(11)16)18-7-8-19-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3
InChIKeyGVZMSGHVQXBCSR-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.79
Rot. Bonds5

About 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline

2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline (PubChem CID 104726919) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
PubChem CID104726919
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
SMILESCc1cc(Cl)c(NCCOc2ccccc2)cc1Cl
InChIInChI=1S/C15H15Cl2NO/c1-11-9-14(17)15(10-13(11)16)18-7-8-19-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3
InChIKeyGVZMSGHVQXBCSR-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline 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

2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816
2,4,5-trichloro-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54797646
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 63668109
2,5-dichloro-4-methyl-N-[(4-propoxyphenyl)methyl]aniline
CID 104726150
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
2,5-dichloro-4-methyl-N-(3-phenylprop-2-ynyl)aniline
CID 104726759
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
2,5-dichloro-N-[(4-ethoxyphenyl)methyl]-4-methylaniline
CID 104726046

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline (CID 104726919) is 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline is Cc1cc(Cl)c(NCCOc2ccccc2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline?
The InChIKey is GVZMSGHVQXBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-11-9-14(17)15(10-13(11)16)18-7-8-19-12-5-3-2-4-6-12/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline?
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline has a molecular weight of 296.20 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 104726919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).