1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine

C10H13ClFNO — CID 84683281

IUPAC1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1c(F)cc(Cl)c(C)c1C(C)N
InChIInChI=1S/C10H13ClFNO/c1-5-7(11)4-8(12)10(14-3)9(5)6(2)13/h4,6H,13H2,1-3H3
InChIKeyNZTYBTNWLCAINX-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.82
Rot. Bonds2

About 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine

1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine (PubChem CID 84683281) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
PubChem CID84683281
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1c(F)cc(Cl)c(C)c1C(C)N
InChIInChI=1S/C10H13ClFNO/c1-5-7(11)4-8(12)10(14-3)9(5)6(2)13/h4,6H,13H2,1-3H3
InChIKeyNZTYBTNWLCAINX-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-5-fluoro-4-methoxy-2-methyl-3-propan-2-ylbenzene
CID 130224423
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-1-ol
CID 117337268
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
[1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)cyclohexyl]methanamine
CID 117460449
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
The IUPAC name of 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine (CID 84683281) is 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine is COc1c(F)cc(Cl)c(C)c1C(C)N.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
The InChIKey is NZTYBTNWLCAINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-5-7(11)4-8(12)10(14-3)9(5)6(2)13/h4,6H,13H2,1-3H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine?
1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine has a molecular weight of 217.67 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)ethanamine is sourced from PubChem (CID 84683281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).