2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline

C10H13Cl2NO — CID 104726849

IUPAC2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
SMILESCOCCNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7-5-9(12)10(6-8(7)11)13-3-4-14-2/h5-6,13H,3-4H2,1-2H3
InChIKeySTRBASNYEVPLHA-UHFFFAOYSA-N
MW234.13 g/mol
LogP3.36
Rot. Bonds4

About 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline

2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline (PubChem CID 104726849) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
PubChem CID104726849
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
SMILESCOCCNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7-5-9(12)10(6-8(7)11)13-3-4-14-2/h5-6,13H,3-4H2,1-2H3
InChIKeySTRBASNYEVPLHA-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2,5-dichloro-4-methyl-N-octylaniline
CID 113445759
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
2-bromo-5-chloro-4-methyl-N-[2-(trifluoromethoxy)ethyl]aniline
CID 113445488
2,5-dichloro-N-(3-ethylsulfonylpropyl)-4-methylaniline
CID 115969674
4-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726866
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
2-chloro-4-fluoro-5-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112734641
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline (CID 104726849) is 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline is COCCNc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline?
The InChIKey is STRBASNYEVPLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-7-5-9(12)10(6-8(7)11)13-3-4-14-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline?
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline has a molecular weight of 234.13 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline is sourced from PubChem (CID 104726849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).