1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine

C18H22FNO — CID 63473815

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
SMILESCCNC(COc1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22FNO/c1-4-20-18(15-6-5-13(2)14(3)11-15)12-21-17-9-7-16(19)8-10-17/h5-11,18,20H,4,12H2,1-3H3
InChIKeyXSYVLFOUFXZBEU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.17
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine

1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine (PubChem CID 63473815) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
PubChem CID63473815
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
SMILESCCNC(COc1ccc(F)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H22FNO/c1-4-20-18(15-6-5-13(2)14(3)11-15)12-21-17-9-7-16(19)8-10-17/h5-11,18,20H,4,12H2,1-3H3
InChIKeyXSYVLFOUFXZBEU-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 107168988
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63474881
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-ethyl-1-(4-fluoro-3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 65296774
2-(4-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 105143051

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine (CID 63473815) is 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine is CCNC(COc1ccc(F)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine?
The InChIKey is XSYVLFOUFXZBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-18(15-6-5-13(2)14(3)11-15)12-21-17-9-7-16(19)8-10-17/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine?
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine is sourced from PubChem (CID 63473815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).