2,5-dichloro-3-methylaniline;ethane

C9H13Cl2N — CID 155747818

IUPAC2,5-dichloro-3-methylaniline;ethane
SMILESCC.Cc1cc(Cl)cc(N)c1Cl
InChIInChI=1S/C7H7Cl2N.C2H6/c1-4-2-5(8)3-6(10)7(4)9;1-2/h2-3H,10H2,1H3;1-2H3
InChIKeyAYOPPHKMYXWJFN-UHFFFAOYSA-N
MW206.12 g/mol
LogP3.91
Rot. Bonds

About 2,5-dichloro-3-methylaniline;ethane

2,5-dichloro-3-methylaniline;ethane (PubChem CID 155747818) has the molecular formula C9H13Cl2N and a molecular weight of 206.12 g/mol. Its IUPAC name is 2,5-dichloro-3-methylaniline;ethane.

Molecular Properties

Compound Name2,5-dichloro-3-methylaniline;ethane
PubChem CID155747818
Molecular FormulaC9H13Cl2N
Molecular Weight206.12 g/mol
Exact Mass205.04
IUPAC Name2,5-dichloro-3-methylaniline;ethane
SMILESCC.Cc1cc(Cl)cc(N)c1Cl
InChIInChI=1S/C7H7Cl2N.C2H6/c1-4-2-5(8)3-6(10)7(4)9;1-2/h2-3H,10H2,1H3;1-2H3
InChIKeyAYOPPHKMYXWJFN-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

1-bromo-2,5-dichloro-3-methylbenzene
CID 44891130
3-amino-4-chloro-5-methylbenzaldehyde
CID 145380642
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
2-amino-4-chloro-6-methylbenzenesulfonamide
CID 142791443
2-chloro-3-methyl-5-methylsulfonylaniline
CID 45156896
2,5-dichloro-1-methyl-3-propan-2-ylbenzene;ethane
CID 155706977
(4-chloro-2,6-dimethylphenyl)hydrazine
CID 170985099
3,4-dichloro-2,5-dimethylaniline
CID 19096888
5-chloro-3-methoxy-2-methylaniline
CID 97179579
tris(2-amino-4-chloro-6-methylbenzenesulfonate);nickel(3+)
CID 101303865
2-bromo-4-chloro-6-methylaniline
CID 20543754
5-chloro-3-fluoro-2-methylaniline
CID 18727792

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-methylaniline;ethane?
The IUPAC name of 2,5-dichloro-3-methylaniline;ethane (CID 155747818) is 2,5-dichloro-3-methylaniline;ethane.
What is the SMILES notation for 2,5-dichloro-3-methylaniline;ethane?
The canonical SMILES for 2,5-dichloro-3-methylaniline;ethane is CC.Cc1cc(Cl)cc(N)c1Cl.
What is the InChIKey of 2,5-dichloro-3-methylaniline;ethane?
The InChIKey is AYOPPHKMYXWJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N.C2H6/c1-4-2-5(8)3-6(10)7(4)9;1-2/h2-3H,10H2,1H3;1-2H3.
What are the key properties of 2,5-dichloro-3-methylaniline;ethane?
2,5-dichloro-3-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 2,5-dichloro-3-methylaniline;ethane is sourced from PubChem (CID 155747818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).