5-chloro-2-ethyl-N-(2-methoxyethyl)aniline

C11H16ClNO — CID 70287582

IUPAC5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
SMILESCCc1ccc(Cl)cc1NCCOC
InChIInChI=1S/C11H16ClNO/c1-3-9-4-5-10(12)8-11(9)13-6-7-14-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyKZHDUTBZARKQLZ-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.96
Rot. Bonds5

About 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline

5-chloro-2-ethyl-N-(2-methoxyethyl)aniline (PubChem CID 70287582) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
PubChem CID70287582
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name5-chloro-2-ethyl-N-(2-methoxyethyl)aniline
SMILESCCc1ccc(Cl)cc1NCCOC
InChIInChI=1S/C11H16ClNO/c1-3-9-4-5-10(12)8-11(9)13-6-7-14-2/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyKZHDUTBZARKQLZ-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.96
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

5-chloro-2-ethyl-N-propylaniline
CID 145484900
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
4-chloro-N-(2-methoxyethyl)-2-nitroaniline
CID 28542742
5-chloro-2-fluoro-N-(4-methoxybutyl)aniline
CID 115735656
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
N-[(4-chloro-2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114863829
2-bromo-5-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112589304
1-(5-chloro-2-ethylphenyl)-N-methoxymethanamine
CID 117288951
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
2-chloro-1-N-(2-methoxyethyl)benzene-1,4-diamine;hydrochloride
CID 19807713

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline?
The IUPAC name of 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline (CID 70287582) is 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline?
The canonical SMILES for 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline is CCc1ccc(Cl)cc1NCCOC.
What is the InChIKey of 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline?
The InChIKey is KZHDUTBZARKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-9-4-5-10(12)8-11(9)13-6-7-14-2/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline?
5-chloro-2-ethyl-N-(2-methoxyethyl)aniline has a molecular weight of 213.71 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 70287582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).