2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine

C15H15ClFNO — CID 107130057

IUPAC2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO/c1-10-2-3-11(8-14(10)17)15(18)9-19-13-6-4-12(16)5-7-13/h2-8,15H,9,18H2,1H3
InChIKeyQAJDETOPEOLSDX-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine

2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 107130057) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID107130057
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C15H15ClFNO/c1-10-2-3-11(8-14(10)17)15(18)9-19-13-6-4-12(16)5-7-13/h2-8,15H,9,18H2,1H3
InChIKeyQAJDETOPEOLSDX-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107524174
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
2-(3-fluoro-4-methylphenoxy)-1-(3-fluorophenyl)ethanamine
CID 107524173
2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 107130057) is 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)COc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is QAJDETOPEOLSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-2-3-11(8-14(10)17)15(18)9-19-13-6-4-12(16)5-7-13/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine?
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 107130057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).