3-chloro-6-ethoxy-2,4-dimethylaniline

C10H14ClNO — CID 82053344

IUPAC3-chloro-6-ethoxy-2,4-dimethylaniline
SMILESCCOc1cc(C)c(Cl)c(C)c1N
InChIInChI=1S/C10H14ClNO/c1-4-13-8-5-6(2)9(11)7(3)10(8)12/h5H,4,12H2,1-3H3
InChIKeyDHXUWPOSDTZITA-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.94
Rot. Bonds2

About 3-chloro-6-ethoxy-2,4-dimethylaniline

3-chloro-6-ethoxy-2,4-dimethylaniline (PubChem CID 82053344) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-2,4-dimethylaniline.

Molecular Properties

Compound Name3-chloro-6-ethoxy-2,4-dimethylaniline
PubChem CID82053344
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name3-chloro-6-ethoxy-2,4-dimethylaniline
SMILESCCOc1cc(C)c(Cl)c(C)c1N
InChIInChI=1S/C10H14ClNO/c1-4-13-8-5-6(2)9(11)7(3)10(8)12/h5H,4,12H2,1-3H3
InChIKeyDHXUWPOSDTZITA-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentan-2-amine
CID 83937893
1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
CID 174576227
2-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958649
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
5-(3-chloro-6-ethoxy-2,4-dimethylphenyl)pentane-2,3-diol
CID 83937949
4-chloro-1-ethoxy-2-hept-4-yn-2-yl-3,5-dimethylbenzene
CID 83937909

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-2,4-dimethylaniline?
The IUPAC name of 3-chloro-6-ethoxy-2,4-dimethylaniline (CID 82053344) is 3-chloro-6-ethoxy-2,4-dimethylaniline.
What is the SMILES notation for 3-chloro-6-ethoxy-2,4-dimethylaniline?
The canonical SMILES for 3-chloro-6-ethoxy-2,4-dimethylaniline is CCOc1cc(C)c(Cl)c(C)c1N.
What is the InChIKey of 3-chloro-6-ethoxy-2,4-dimethylaniline?
The InChIKey is DHXUWPOSDTZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-4-13-8-5-6(2)9(11)7(3)10(8)12/h5H,4,12H2,1-3H3.
What are the key properties of 3-chloro-6-ethoxy-2,4-dimethylaniline?
3-chloro-6-ethoxy-2,4-dimethylaniline has a molecular weight of 199.68 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-2,4-dimethylaniline is sourced from PubChem (CID 82053344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).