2,6-dichloro-4-methylaniline;ethane

C9H13Cl2N — CID 143233725

IUPAC2,6-dichloro-4-methylaniline;ethane
SMILESCC.Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H7Cl2N.C2H6/c1-4-2-5(8)7(10)6(9)3-4;1-2/h2-3H,10H2,1H3;1-2H3
InChIKeyUBFAGIGOBKCPHX-UHFFFAOYSA-N
MW206.12 g/mol
LogP3.91
Rot. Bonds

About 2,6-dichloro-4-methylaniline;ethane

2,6-dichloro-4-methylaniline;ethane (PubChem CID 143233725) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 2,6-dichloro-4-methylaniline;ethane.

Molecular Properties

Compound Name2,6-dichloro-4-methylaniline;ethane
PubChem CID143233725
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name2,6-dichloro-4-methylaniline;ethane
SMILESCC.Cc1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C7H7Cl2N.C2H6/c1-4-2-5(8)7(10)6(9)3-4;1-2/h2-3H,10H2,1H3;1-2H3
InChIKeyUBFAGIGOBKCPHX-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-5-methylbenzaldehyde;ethane;methoxymethane
CID 145491899
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
CID 10752383
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
2-chloro-4-methylaniline
CID 12007
3-chloro-5-methylaniline;ethane
CID 142083431
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
ethane;1,3,5-trimethylbenzene
CID 91530079
(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883146
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
cobalt;2,4,6-trimethylaniline
CID 159454360
(2-amino-3-chloro-5-methylphenyl)-piperazin-1-ylmethanone
CID 82511892

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylaniline;ethane?
The IUPAC name of 2,6-dichloro-4-methylaniline;ethane (CID 143233725) is 2,6-dichloro-4-methylaniline;ethane.
What is the SMILES notation for 2,6-dichloro-4-methylaniline;ethane?
The canonical SMILES for 2,6-dichloro-4-methylaniline;ethane is CC.Cc1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-methylaniline;ethane?
The InChIKey is UBFAGIGOBKCPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N.C2H6/c1-4-2-5(8)7(10)6(9)3-4;1-2/h2-3H,10H2,1H3;1-2H3.
What are the key properties of 2,6-dichloro-4-methylaniline;ethane?
2,6-dichloro-4-methylaniline;ethane has a molecular weight of 206.12 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylaniline;ethane is sourced from PubChem (CID 143233725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).