2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline

C15H21Cl2N — CID 104726174

IUPAC2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCCC(Nc2cc(Cl)c(C)cc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-3-11-5-4-6-12(8-11)18-15-9-13(16)10(2)7-14(15)17/h7,9,11-12,18H,3-6,8H2,1-2H3
InChIKeyLAGDFNGAENLROP-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.68
Rot. Bonds3

About 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline

2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline (PubChem CID 104726174) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline.

Molecular Properties

Compound Name2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
PubChem CID104726174
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline
SMILESCCC1CCCC(Nc2cc(Cl)c(C)cc2Cl)C1
InChIInChI=1S/C15H21Cl2N/c1-3-11-5-4-6-12(8-11)18-15-9-13(16)10(2)7-14(15)17/h7,9,11-12,18H,3-6,8H2,1-2H3
InChIKeyLAGDFNGAENLROP-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
5-chloro-N-(3-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555954
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
2,5-dichloro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 104726787
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
CID 102758631
1-N-(3-ethylcyclohexyl)-2-fluorobenzene-1,4-diamine
CID 64749014
N-(2,5-dichloro-4-methylphenyl)-1,1-dioxothian-3-amine
CID 113445780
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
7-chloro-N-(3-ethylcyclohexyl)quinolin-4-amine
CID 64742610
2-chloro-6-[(3-ethylcyclohexyl)amino]benzenecarbothioamide
CID 64750192

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline?
The IUPAC name of 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline (CID 104726174) is 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline.
What is the SMILES notation for 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline?
The canonical SMILES for 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline is CCC1CCCC(Nc2cc(Cl)c(C)cc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline?
The InChIKey is LAGDFNGAENLROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-3-11-5-4-6-12(8-11)18-15-9-13(16)10(2)7-14(15)17/h7,9,11-12,18H,3-6,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline?
2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline has a molecular weight of 286.25 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-ethylcyclohexyl)-4-methylaniline is sourced from PubChem (CID 104726174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).