2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine

C18H22FNO — CID 102981023

IUPAC2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)COc2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C18H22FNO/c1-11-7-13(3)18(14(4)8-11)16(20)10-21-17-9-15(19)6-5-12(17)2/h5-9,16H,10,20H2,1-4H3
InChIKeyHXGDMMXJFHUWNI-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.14
Rot. Bonds4

About 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine

2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 102981023) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID102981023
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)COc2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C18H22FNO/c1-11-7-13(3)18(14(4)8-11)16(20)10-21-17-9-15(19)6-5-12(17)2/h5-9,16H,10,20H2,1-4H3
InChIKeyHXGDMMXJFHUWNI-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-2-(5-fluoro-2-methylphenoxy)ethanamine
CID 107524051
1-(3,5-dimethylphenyl)-2-(5-fluoro-2-methylphenoxy)-N-methylethanamine
CID 102981071
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
1-(2,5-difluorophenyl)-2-(2-methylphenoxy)ethanamine
CID 16789582
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxyethanamine
CID 106881398
2-(2,4-difluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680598
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methylphenoxy)ethanamine
CID 107657092
3-(5-fluoro-2-methylphenoxy)-2-phenylpropane-1-thiol
CID 102988842

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine (CID 102981023) is 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)COc2cc(F)ccc2C)c(C)c1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HXGDMMXJFHUWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-11-7-13(3)18(14(4)8-11)16(20)10-21-17-9-15(19)6-5-12(17)2/h5-9,16H,10,20H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 102981023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).