1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine

C11H13ClF3NO — CID 82304919

IUPAC1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
SMILESCCOc1cc(C)c(C(N)C(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3NO/c1-3-17-9-4-6(2)7(5-8(9)12)10(16)11(13,14)15/h4-5,10H,3,16H2,1-2H3
InChIKeyJJIBEXBOAHYUEE-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.61
Rot. Bonds3

About 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine

1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine (PubChem CID 82304919) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
PubChem CID82304919
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine
SMILESCCOc1cc(C)c(C(N)C(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3NO/c1-3-17-9-4-6(2)7(5-8(9)12)10(16)11(13,14)15/h4-5,10H,3,16H2,1-2H3
InChIKeyJJIBEXBOAHYUEE-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(5-chloro-4-ethoxy-2-methylphenyl)butanoic acid
CID 112519868
2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
CID 77128155
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
3-amino-3-(5-chloro-2-ethoxy-4-methylphenyl)propanoic acid
CID 4021596
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
CID 95464648
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
1-chloro-2-ethoxy-4-methoxy-5-methylbenzene
CID 71068382
1-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylbutan-2-amine
CID 112513504
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
CID 95447725

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine (CID 82304919) is 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine is CCOc1cc(C)c(C(N)C(F)(F)F)cc1Cl.
What is the InChIKey of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is JJIBEXBOAHYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-3-17-9-4-6(2)7(5-8(9)12)10(16)11(13,14)15/h4-5,10H,3,16H2,1-2H3.
What are the key properties of 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine?
1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-ethoxy-2-methylphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 82304919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).