1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine

C10H13ClFNO2 — CID 84796637

IUPAC1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
SMILESCOc1c(F)cc(C(C)N)c(OC)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-5(13)6-4-7(12)10(15-3)8(11)9(6)14-2/h4-5H,13H2,1-3H3
InChIKeyHERGLRXFXJRVHJ-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine

1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine (PubChem CID 84796637) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
PubChem CID84796637
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
SMILESCOc1c(F)cc(C(C)N)c(OC)c1Cl
InChIInChI=1S/C10H13ClFNO2/c1-5(13)6-4-7(12)10(15-3)8(11)9(6)14-2/h4-5H,13H2,1-3H3
InChIKeyHERGLRXFXJRVHJ-UHFFFAOYSA-N
XLogP2.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine (CID 84796637) is 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine is COc1c(F)cc(C(C)N)c(OC)c1Cl.
What is the InChIKey of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine?
The InChIKey is HERGLRXFXJRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-5(13)6-4-7(12)10(15-3)8(11)9(6)14-2/h4-5H,13H2,1-3H3.
What are the key properties of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine?
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine has a molecular weight of 233.67 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 84796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).