2,5-dichloro-N-(2-methoxyethyl)aniline

C9H11Cl2NO — CID 28568177

IUPAC2,5-dichloro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-13-5-4-12-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyDFEMHGYLXQRURP-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.05
Rot. Bonds4

About 2,5-dichloro-N-(2-methoxyethyl)aniline

2,5-dichloro-N-(2-methoxyethyl)aniline (PubChem CID 28568177) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methoxyethyl)aniline
PubChem CID28568177
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name2,5-dichloro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-13-5-4-12-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeyDFEMHGYLXQRURP-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.05
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-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
CID 70287582
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
2,5-dichloro-N-(3,3-dimethylbutyl)aniline
CID 63418303
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713
2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112588961
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methoxyethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(2-methoxyethyl)aniline (CID 28568177) is 2,5-dichloro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(2-methoxyethyl)aniline is COCCNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methoxyethyl)aniline?
The InChIKey is DFEMHGYLXQRURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-13-5-4-12-9-6-7(10)2-3-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2,5-dichloro-N-(2-methoxyethyl)aniline?
2,5-dichloro-N-(2-methoxyethyl)aniline has a molecular weight of 220.10 g/mol, XLogP of 3.05, 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)aniline is sourced from PubChem (CID 28568177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).