3-chloro-2,4-dimethyl-6-propoxyaniline

C11H16ClNO — CID 82053375

IUPAC3-chloro-2,4-dimethyl-6-propoxyaniline
SMILESCCCOc1cc(C)c(Cl)c(C)c1N
InChIInChI=1S/C11H16ClNO/c1-4-5-14-9-6-7(2)10(12)8(3)11(9)13/h6H,4-5,13H2,1-3H3
InChIKeyLIJBEQYDCJEJPP-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.33
Rot. Bonds3

About 3-chloro-2,4-dimethyl-6-propoxyaniline

3-chloro-2,4-dimethyl-6-propoxyaniline (PubChem CID 82053375) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-chloro-2,4-dimethyl-6-propoxyaniline.

Molecular Properties

Compound Name3-chloro-2,4-dimethyl-6-propoxyaniline
PubChem CID82053375
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-chloro-2,4-dimethyl-6-propoxyaniline
SMILESCCCOc1cc(C)c(Cl)c(C)c1N
InChIInChI=1S/C11H16ClNO/c1-4-5-14-9-6-7(2)10(12)8(3)11(9)13/h6H,4-5,13H2,1-3H3
InChIKeyLIJBEQYDCJEJPP-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.33
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-6-ethoxy-2,4-dimethylaniline
CID 82053344
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-methylbutanethioamide
CID 83938004
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
2-chloro-1,3-dimethyl-5-propoxybenzene
CID 123140196
1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
CID 174576227
2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
CID 83937981
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butanoic acid
CID 83958660
2-chloro-4-hex-5-yn-3-yl-1,3-dimethyl-5-propoxybenzene
CID 83938031

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dimethyl-6-propoxyaniline?
The IUPAC name of 3-chloro-2,4-dimethyl-6-propoxyaniline (CID 82053375) is 3-chloro-2,4-dimethyl-6-propoxyaniline.
What is the SMILES notation for 3-chloro-2,4-dimethyl-6-propoxyaniline?
The canonical SMILES for 3-chloro-2,4-dimethyl-6-propoxyaniline is CCCOc1cc(C)c(Cl)c(C)c1N.
What is the InChIKey of 3-chloro-2,4-dimethyl-6-propoxyaniline?
The InChIKey is LIJBEQYDCJEJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-4-5-14-9-6-7(2)10(12)8(3)11(9)13/h6H,4-5,13H2,1-3H3.
What are the key properties of 3-chloro-2,4-dimethyl-6-propoxyaniline?
3-chloro-2,4-dimethyl-6-propoxyaniline has a molecular weight of 213.71 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethyl-6-propoxyaniline is sourced from PubChem (CID 82053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).