3,5-dichloro-N-(2-methoxyethyl)aniline

C9H11Cl2NO — CID 28576179

IUPAC3,5-dichloro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-13-3-2-12-9-5-7(10)4-8(11)6-9/h4-6,12H,2-3H2,1H3
InChIKeySMSVBFIARKGOBX-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.05
Rot. Bonds4

About 3,5-dichloro-N-(2-methoxyethyl)aniline

3,5-dichloro-N-(2-methoxyethyl)aniline (PubChem CID 28576179) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(2-methoxyethyl)aniline
PubChem CID28576179
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3,5-dichloro-N-(2-methoxyethyl)aniline
SMILESCOCCNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c1-13-3-2-12-9-5-7(10)4-8(11)6-9/h4-6,12H,2-3H2,1H3
InChIKeySMSVBFIARKGOBX-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

Acetamide, N-(3,5-dichlorophenyl)-
CID 182054
Ethyl 2-[(3-chlorophenyl)amino]acetate
CID 302656
3',5'-Dichloroformanilide
CID 22786
Glycine, N-(4-chlorophenyl)-, ethyl ester
CID 302644
2-[(4-Chlorophenyl)amino]ethanol
CID 587825
4-(3-Chlorophenyl)morpholine
CID 11171600
N-(2-methoxyethyl)aniline
CID 1581105
3,5-Dichloro-N-methylaniline
CID 12377757
(3,5-Dichlorophenyl)glycine
CID 13138167
ethyl N-(3,5-dichlorophenyl) carbamate
CID 2741047
2-(diethylamino)ethyl N-(3,5-dichlorophenyl)carbamate
CID 30031
Ethanol, 2-((2-chlorophenyl)amino)-
CID 66757

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-methoxyethyl)aniline?
The IUPAC name of 3,5-dichloro-N-(2-methoxyethyl)aniline (CID 28576179) is 3,5-dichloro-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(2-methoxyethyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(2-methoxyethyl)aniline is COCCNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-methoxyethyl)aniline?
The InChIKey is SMSVBFIARKGOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-13-3-2-12-9-5-7(10)4-8(11)6-9/h4-6,12H,2-3H2,1H3.
What are the key properties of 3,5-dichloro-N-(2-methoxyethyl)aniline?
3,5-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 3,5-dichloro-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 28576179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).