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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Related Compounds

1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
CID 84680949
1-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)ethanamine
CID 117310383
(1R)-1-(4,5-difluoro-2-methoxyphenyl)ethanamine
CID 55277831
1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
CID 84683281
1-(3-chloro-5-fluoro-2,4-dimethylphenyl)ethanamine
CID 84776597
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
CID 84681000
3-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 84697218
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 84704040

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).