N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine

C18H22FNO — CID 107168988

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

About N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine

N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine (PubChem CID 107168988) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
PubChem CID107168988
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
SMILESCCNC(COc1ccc(C)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22FNO/c1-4-20-18(15-8-5-13(2)6-9-15)12-21-16-10-7-14(3)17(19)11-16/h5-11,18,20H,4,12H2,1-3H3
InChIKeyJBURZMKJSHLGFJ-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-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168983
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170360
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
3-(ethylamino)-3-(3-fluoro-4-methylphenyl)propan-1-ol
CID 65234936
2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63474881
N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277173
methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine (CID 107168988) is N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine is CCNC(COc1ccc(C)c(F)c1)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
The InChIKey is JBURZMKJSHLGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-18(15-8-5-13(2)6-9-15)12-21-16-10-7-14(3)17(19)11-16/h5-11,18,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)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 N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 107168988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).