2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

C16H17ClFNO — CID 105143051

IUPAC2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H17ClFNO/c1-11-9-12(3-8-15(11)18)16(19-2)10-20-14-6-4-13(17)5-7-14/h3-9,16,19H,10H2,1-2H3
InChIKeyIGTCIHZQHKSLCY-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine

2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 105143051) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID105143051
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(COc1ccc(Cl)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H17ClFNO/c1-11-9-12(3-8-15(11)18)16(19-2)10-20-14-6-4-13(17)5-7-14/h3-9,16,19H,10H2,1-2H3
InChIKeyIGTCIHZQHKSLCY-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 105143748
2-(4-chlorophenoxy)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 103397391
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475495
2-(3-chlorothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 112749530
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63473422
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
1-(4-fluoro-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 62601206

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine (CID 105143051) is 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine is CNC(COc1ccc(Cl)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is IGTCIHZQHKSLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11-9-12(3-8-15(11)18)16(19-2)10-20-14-6-4-13(17)5-7-14/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine?
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.13, 5 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-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105143051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).