2,5-dichloro-4-methyl-N-octylaniline

C15H23Cl2N — CID 113445759

IUPAC2,5-dichloro-4-methyl-N-octylaniline
SMILESCCCCCCCCNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-3-4-5-6-7-8-9-18-15-11-13(16)12(2)10-14(15)17/h10-11,18H,3-9H2,1-2H3
InChIKeyWWLMKFKCYQWHTK-UHFFFAOYSA-N
MW288.26 g/mol
LogP6.07
Rot. Bonds8

About 2,5-dichloro-4-methyl-N-octylaniline

2,5-dichloro-4-methyl-N-octylaniline (PubChem CID 113445759) has the molecular formula C15H23Cl2N and a molecular weight of 288.26 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-octylaniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-octylaniline
PubChem CID113445759
Molecular FormulaC15H23Cl2N
Molecular Weight288.26 g/mol
Exact Mass287.12
IUPAC Name2,5-dichloro-4-methyl-N-octylaniline
SMILESCCCCCCCCNc1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C15H23Cl2N/c1-3-4-5-6-7-8-9-18-15-11-13(16)12(2)10-14(15)17/h10-11,18H,3-9H2,1-2H3
InChIKeyWWLMKFKCYQWHTK-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.26
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-(3-ethylsulfonylpropyl)-4-methylaniline
CID 115969674
2-chloro-5-methyl-4-N-octylbenzene-1,4-diamine
CID 115566164
2-chloro-N-decyl-4-methylaniline
CID 63489010
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
2,4-dichloro-N-decylaniline
CID 63489638
4-(2,5-dichloro-4-methylanilino)butanoic acid
CID 104726866
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
2,5-dichloro-4-methyl-N-nonan-2-ylaniline
CID 104726304
6-chloro-N-octyl-1,3-benzodioxol-5-amine
CID 43685767
2,5-dichloro-N-(2-methoxyethyl)-4-methylaniline
CID 104726849
2-chloro-4-iodo-N-octylaniline
CID 63445374

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-octylaniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-octylaniline (CID 113445759) is 2,5-dichloro-4-methyl-N-octylaniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-octylaniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-octylaniline is CCCCCCCCNc1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-octylaniline?
The InChIKey is WWLMKFKCYQWHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N/c1-3-4-5-6-7-8-9-18-15-11-13(16)12(2)10-14(15)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 2,5-dichloro-4-methyl-N-octylaniline?
2,5-dichloro-4-methyl-N-octylaniline has a molecular weight of 288.26 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-octylaniline is sourced from PubChem (CID 113445759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).