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

C16H16ClF2NO — CID 63802813

IUPAC2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
SMILESCc1cc(Oc2c(F)cc(CCN)cc2F)cc(C)c1Cl
InChIInChI=1S/C16H16ClF2NO/c1-9-5-12(6-10(2)15(9)17)21-16-13(18)7-11(3-4-20)8-14(16)19/h5-8H,3-4,20H2,1-2H3
InChIKeyXUSCAVABFNQMIA-UHFFFAOYSA-N
MW311.76 g/mol
LogP4.53
Rot. Bonds4

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

2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 63802813) has the molecular formula C16H16ClF2NO and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
PubChem CID63802813
Molecular FormulaC16H16ClF2NO
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
SMILESCc1cc(Oc2c(F)cc(CCN)cc2F)cc(C)c1Cl
InChIInChI=1S/C16H16ClF2NO/c1-9-5-12(6-10(2)15(9)17)21-16-13(18)7-11(3-4-20)8-14(16)19/h5-8H,3-4,20H2,1-2H3
InChIKeyXUSCAVABFNQMIA-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluoroaniline
CID 54902859
2-[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]ethanamine
CID 63802635
2-[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63803798
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
2-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63816437
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
CID 43369995
2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804257
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
[3,5-difluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 63077354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine (CID 63802813) is 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine is Cc1cc(Oc2c(F)cc(CCN)cc2F)cc(C)c1Cl.
What is the InChIKey of 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is XUSCAVABFNQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NO/c1-9-5-12(6-10(2)15(9)17)21-16-13(18)7-11(3-4-20)8-14(16)19/h5-8H,3-4,20H2,1-2H3.
What are the key properties of 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 311.76 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63802813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).