1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine

C11H13ClF3NO — CID 82304921

IUPAC1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C(N)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-5-4-7(17-3)8(6(2)9(5)12)10(16)11(13,14)15/h4,10H,16H2,1-3H3
InChIKeyDWBINPJQVRNMPH-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.53
Rot. Bonds2

About 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine

1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine (PubChem CID 82304921) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine
PubChem CID82304921
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine
SMILESCOc1cc(C)c(Cl)c(C)c1C(N)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-5-4-7(17-3)8(6(2)9(5)12)10(16)11(13,14)15/h4,10H,16H2,1-3H3
InChIKeyDWBINPJQVRNMPH-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine (CID 82304921) is 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine is COc1cc(C)c(Cl)c(C)c1C(N)C(F)(F)F.
What is the InChIKey of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is DWBINPJQVRNMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-5-4-7(17-3)8(6(2)9(5)12)10(16)11(13,14)15/h4,10H,16H2,1-3H3.
What are the key properties of 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine?
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 82304921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).