2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline

C16H23Cl2NO — CID 175463115

IUPAC2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline
SMILESC=CC(C)(CCCC(C)C)ONc1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-5-16(4,11-7-8-12(2)3)20-19-15-13(17)9-6-10-14(15)18/h5-6,9-10,12,19H,1,7-8,11H2,2-4H3
InChIKeyMEAFQSLPWBRYMC-UHFFFAOYSA-N
MW316.27 g/mol
LogP6.11
Rot. Bonds8

About 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline

2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline (PubChem CID 175463115) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline
PubChem CID175463115
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline
SMILESC=CC(C)(CCCC(C)C)ONc1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2NO/c1-5-16(4,11-7-8-12(2)3)20-19-15-13(17)9-6-10-14(15)18/h5-6,9-10,12,19H,1,7-8,11H2,2-4H3
InChIKeyMEAFQSLPWBRYMC-UHFFFAOYSA-N
XLogP6.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dichlorophenyl)-N-(3,7-dimethyloct-1-en-3-yl)methanimine
CID 175609254
1-(4-bromophenyl)-N-(3,7-dimethyloct-1-en-3-yloxy)methanimine
CID 175463116
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
3-chloro-2-(3-methylbutylamino)benzoic acid
CID 18803655
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
CID 114493258
2,6-dimethyl-N-(4-methylpentyl)aniline
CID 83156860
N-[2-(2-chlorophenyl)sulfanylethyl]-4-methylpentan-1-amine
CID 63516114
N-(2,6-dichlorophenyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109195704
3,6-dimethylhept-1-en-3-yl acetate
CID 154263841
[(E)-3,15-dimethylhexadec-2-enyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 162364382
3-chloro-2-[(5-methylhexylamino)methyl]phenol
CID 79002895

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline?
The IUPAC name of 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline (CID 175463115) is 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline.
What is the SMILES notation for 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline?
The canonical SMILES for 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline is C=CC(C)(CCCC(C)C)ONc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline?
The InChIKey is MEAFQSLPWBRYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-5-16(4,11-7-8-12(2)3)20-19-15-13(17)9-6-10-14(15)18/h5-6,9-10,12,19H,1,7-8,11H2,2-4H3.
What are the key properties of 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline?
2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline has a molecular weight of 316.27 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3,7-dimethyloct-1-en-3-yloxy)aniline is sourced from PubChem (CID 175463115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).