2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine

C11H16FN — CID 84768579

IUPAC2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(F)c(CCN)c1C
InChIInChI=1S/C11H16FN/c1-7-6-8(2)11(12)10(4-5-13)9(7)3/h6H,4-5,13H2,1-3H3
InChIKeyVFAXHTVLMZDETN-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.25
Rot. Bonds2

About 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine

2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine (PubChem CID 84768579) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
PubChem CID84768579
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(F)c(CCN)c1C
InChIInChI=1S/C11H16FN/c1-7-6-8(2)11(12)10(4-5-13)9(7)3/h6H,4-5,13H2,1-3H3
InChIKeyVFAXHTVLMZDETN-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
2-(6-chloro-2-fluoro-3-methylphenyl)ethanamine
CID 53403713
2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid
CID 84773961
2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
CID 18184170
1-fluoro-2,4,5-trimethyl-3-propylbenzene
CID 146341300
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine (CID 84768579) is 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine is Cc1cc(C)c(F)c(CCN)c1C.
What is the InChIKey of 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine?
The InChIKey is VFAXHTVLMZDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-7-6-8(2)11(12)10(4-5-13)9(7)3/h6H,4-5,13H2,1-3H3.
What are the key properties of 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine?
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine has a molecular weight of 181.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 84768579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).