5-chloro-N-(2-ethylbutyl)-2-methoxyaniline

C13H20ClNO — CID 29289314

IUPAC5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
SMILESCCC(CC)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO/c1-4-10(5-2)9-15-12-8-11(14)6-7-13(12)16-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyYUOFMWCPYXRBDA-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.20
Rot. Bonds6

About 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline

5-chloro-N-(2-ethylbutyl)-2-methoxyaniline (PubChem CID 29289314) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
PubChem CID29289314
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
SMILESCCC(CC)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C13H20ClNO/c1-4-10(5-2)9-15-12-8-11(14)6-7-13(12)16-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyYUOFMWCPYXRBDA-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
CID 43105776
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
CID 80700235
N-butan-2-yl-2-(5-chloro-2-methoxyanilino)acetamide
CID 43179785
1-(5-chloro-2-methoxyanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60897921
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
CID 60898689
N-(2-ethylbutyl)-4,5-dimethoxy-2-methylaniline
CID 43716743
1-(5-chloro-2-methoxyanilino)-3-hexoxypropan-2-ol
CID 60897922
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
5-chloro-N-heptan-4-yl-2-methoxyaniline
CID 28510318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline (CID 29289314) is 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline is CCC(CC)CNc1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline?
The InChIKey is YUOFMWCPYXRBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-10(5-2)9-15-12-8-11(14)6-7-13(12)16-3/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline?
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline has a molecular weight of 241.76 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylbutyl)-2-methoxyaniline is sourced from PubChem (CID 29289314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).