N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine

C18H22FNO — CID 64855007

IUPACN-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
SMILESCCNC(COc1cc(C)ccc1F)c1ccccc1C
InChIInChI=1S/C18H22FNO/c1-4-20-17(15-8-6-5-7-14(15)3)12-21-18-11-13(2)9-10-16(18)19/h5-11,17,20H,4,12H2,1-3H3
InChIKeyVOTDDWLHOAEQNK-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.17
Rot. Bonds6

About N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine

N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine (PubChem CID 64855007) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
PubChem CID64855007
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
SMILESCCNC(COc1cc(C)ccc1F)c1ccccc1C
InChIInChI=1S/C18H22FNO/c1-4-20-17(15-8-6-5-7-14(15)3)12-21-18-11-13(2)9-10-16(18)19/h5-11,17,20H,4,12H2,1-3H3
InChIKeyVOTDDWLHOAEQNK-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

2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63268910
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630
2-(2,3-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63476125
2-(3,4-dimethylphenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63474881
N-methyl-1-(2-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63473491
2-(2-chloro-4-methylphenoxy)-N-methyl-1-(2-methylphenyl)ethanamine
CID 62670922
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
1-(2-fluoro-5-methylphenoxy)butan-2-ol
CID 64854416
1-fluoro-2-(2-fluoropropoxy)-4-methylbenzene
CID 134558934
1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 64854999
N-ethyl-1-(2-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 55025976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine (CID 64855007) is N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine is CCNC(COc1cc(C)ccc1F)c1ccccc1C.
What is the InChIKey of N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine?
The InChIKey is VOTDDWLHOAEQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-17(15-8-6-5-7-14(15)3)12-21-18-11-13(2)9-10-16(18)19/h5-11,17,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine?
N-ethyl-2-(2-fluoro-5-methylphenoxy)-1-(2-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-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64855007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).