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

C15H15ClFNO — CID 105142711

IUPAC2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)COc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNO/c1-10-8-12(17)4-7-14(10)15(18)9-19-13-5-2-11(16)3-6-13/h2-8,15H,9,18H2,1H3
InChIKeyMDRQQHRLABRONK-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.87
Rot. Bonds4

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

2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105142711) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105142711
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1C(N)COc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNO/c1-10-8-12(17)4-7-14(10)15(18)9-19-13-5-2-11(16)3-6-13/h2-8,15H,9,18H2,1H3
InChIKeyMDRQQHRLABRONK-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

2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
CID 106764386
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 105143748
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
1-(2,4-dimethylphenyl)-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855010
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine (CID 105142711) is 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1C(N)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is MDRQQHRLABRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-8-12(17)4-7-14(10)15(18)9-19-13-5-2-11(16)3-6-13/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine?
2-(4-chlorophenoxy)-1-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105142711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).