2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine

C16H17ClFNO — CID 63802635

IUPAC2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
SMILESCc1cc(Oc2ccc(F)cc2CCN)cc(C)c1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-7-14(8-11(2)16(10)17)20-15-4-3-13(18)9-12(15)5-6-19/h3-4,7-9H,5-6,19H2,1-2H3
InChIKeyGACNIIDLUJEPBD-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.39
Rot. Bonds4

About 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine

2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine (PubChem CID 63802635) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
PubChem CID63802635
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
SMILESCc1cc(Oc2ccc(F)cc2CCN)cc(C)c1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-7-14(8-11(2)16(10)17)20-15-4-3-13(18)9-12(15)5-6-19/h3-4,7-9H,5-6,19H2,1-2H3
InChIKeyGACNIIDLUJEPBD-UHFFFAOYSA-N
XLogP4.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
2-[5-fluoro-2-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102990405
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
CID 107087711
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
2-[2-(2-bromophenoxy)-5-fluorophenyl]ethanamine
CID 63815572
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine (CID 63802635) is 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine is Cc1cc(Oc2ccc(F)cc2CCN)cc(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine?
The InChIKey is GACNIIDLUJEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-7-14(8-11(2)16(10)17)20-15-4-3-13(18)9-12(15)5-6-19/h3-4,7-9H,5-6,19H2,1-2H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine?
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63802635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).