2,6-dichloro-N-octan-2-ylaniline

C14H21Cl2N — CID 65469716

IUPAC2,6-dichloro-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-3-4-5-6-8-11(2)17-14-12(15)9-7-10-13(14)16/h7,9-11,17H,3-6,8H2,1-2H3
InChIKeyBCLXCWFKZUEOAQ-UHFFFAOYSA-N
MW274.23 g/mol
LogP5.76
Rot. Bonds7

About 2,6-dichloro-N-octan-2-ylaniline

2,6-dichloro-N-octan-2-ylaniline (PubChem CID 65469716) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 2,6-dichloro-N-octan-2-ylaniline.

Molecular Properties

Compound Name2,6-dichloro-N-octan-2-ylaniline
PubChem CID65469716
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name2,6-dichloro-N-octan-2-ylaniline
SMILESCCCCCCC(C)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-3-4-5-6-8-11(2)17-14-12(15)9-7-10-13(14)16/h7,9-11,17H,3-6,8H2,1-2H3
InChIKeyBCLXCWFKZUEOAQ-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.23
LogP ≤ 55.76
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

2,6-dichloro-N-pentan-2-ylaniline
CID 65469888
2,6-difluoro-N-octan-2-ylaniline
CID 11356906
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-chloro-4,6-difluoro-N-nonan-2-ylaniline
CID 83081084
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
3-(octan-2-ylamino)phenol
CID 43130083
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
3,5-dichloro-N-nonan-2-ylaniline
CID 55199203
1-(2,6-dichlorophenyl)-N-propylnonan-1-amine
CID 115835319

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-octan-2-ylaniline?
The IUPAC name of 2,6-dichloro-N-octan-2-ylaniline (CID 65469716) is 2,6-dichloro-N-octan-2-ylaniline.
What is the SMILES notation for 2,6-dichloro-N-octan-2-ylaniline?
The canonical SMILES for 2,6-dichloro-N-octan-2-ylaniline is CCCCCCC(C)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-octan-2-ylaniline?
The InChIKey is BCLXCWFKZUEOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-3-4-5-6-8-11(2)17-14-12(15)9-7-10-13(14)16/h7,9-11,17H,3-6,8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-octan-2-ylaniline?
2,6-dichloro-N-octan-2-ylaniline has a molecular weight of 274.23 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-octan-2-ylaniline is sourced from PubChem (CID 65469716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).