2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine

C16H17ClFNO — CID 82027729

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
SMILESCc1cc(OCC(N)c2ccc(F)cc2)cc(C)c1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-7-14(8-11(2)16(10)17)20-9-15(19)12-3-5-13(18)6-4-12/h3-8,15H,9,19H2,1-2H3
InChIKeyOSSJKLVXUPURTD-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine

2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine (PubChem CID 82027729) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
PubChem CID82027729
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
SMILESCc1cc(OCC(N)c2ccc(F)cc2)cc(C)c1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-7-14(8-11(2)16(10)17)20-9-15(19)12-3-5-13(18)6-4-12/h3-8,15H,9,19H2,1-2H3
InChIKeyOSSJKLVXUPURTD-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2,6-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 30429316
2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63500552
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
1-(4-chloro-3,5-dimethylphenoxy)-3,3-dimethylbutan-2-amine
CID 82027680
2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine (CID 82027729) is 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine is Cc1cc(OCC(N)c2ccc(F)cc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
The InChIKey is OSSJKLVXUPURTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-7-14(8-11(2)16(10)17)20-9-15(19)12-3-5-13(18)6-4-12/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine?
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 82027729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).