4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline

C16H26ClNO2 — CID 63487753

IUPAC4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
SMILESCCCCC(CC)CNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C16H26ClNO2/c1-5-7-8-12(6-2)11-18-14-10-15(19-3)13(17)9-16(14)20-4/h9-10,12,18H,5-8,11H2,1-4H3
InChIKeyJMHBQSADMTZGGM-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.99
Rot. Bonds9

About 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline

4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline (PubChem CID 63487753) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline.

Molecular Properties

Compound Name4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
PubChem CID63487753
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline
SMILESCCCCC(CC)CNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C16H26ClNO2/c1-5-7-8-12(6-2)11-18-14-10-15(19-3)13(17)9-16(14)20-4/h9-10,12,18H,5-8,11H2,1-4H3
InChIKeyJMHBQSADMTZGGM-UHFFFAOYSA-N
XLogP4.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-ethylhexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107819905
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
2-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 60853463
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
3-(4-chloro-2,5-dimethoxyanilino)-2-methylpropanamide
CID 43312033
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
4,5-dichloro-N-(2-ethylhexyl)-2-nitroaniline
CID 107816572
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline?
The IUPAC name of 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline (CID 63487753) is 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline.
What is the SMILES notation for 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline?
The canonical SMILES for 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline is CCCCC(CC)CNc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline?
The InChIKey is JMHBQSADMTZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-5-7-8-12(6-2)11-18-14-10-15(19-3)13(17)9-16(14)20-4/h9-10,12,18H,5-8,11H2,1-4H3.
What are the key properties of 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline?
4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline has a molecular weight of 299.84 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylhexyl)-2,5-dimethoxyaniline is sourced from PubChem (CID 63487753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).