1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine

C18H22FNO — CID 107701121

IUPAC1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCc1cccc(C)c1COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C18H22FNO/c1-12-5-4-6-13(2)17(12)11-21-18-8-7-16(19)10-15(18)9-14(3)20/h4-8,10,14H,9,11,20H2,1-3H3
InChIKeyIHPBOESOAXMKIK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.91
Rot. Bonds5

About 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine

1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine (PubChem CID 107701121) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
PubChem CID107701121
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine
SMILESCc1cccc(C)c1COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C18H22FNO/c1-12-5-4-6-13(2)17(12)11-21-18-8-7-16(19)10-15(18)9-14(3)20/h4-8,10,14H,9,11,20H2,1-3H3
InChIKeyIHPBOESOAXMKIK-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine 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-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
N-[[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695600
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-[5-fluoro-2-[(4-methoxyphenyl)methoxy]phenyl]propan-2-amine
CID 107700785
1-[5-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 107701061
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
1-[2-(4-bromo-3,5-dimethylphenoxy)-5-fluorophenyl]propan-2-amine
CID 107726942
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-[5-fluoro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-amine
CID 107701306
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 107700851
1-[2-(2-chlorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63804291

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine (CID 107701121) is 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine is Cc1cccc(C)c1COc1ccc(F)cc1CC(C)N.
What is the InChIKey of 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine?
The InChIKey is IHPBOESOAXMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-5-4-6-13(2)17(12)11-21-18-8-7-16(19)10-15(18)9-14(3)20/h4-8,10,14H,9,11,20H2,1-3H3.
What are the key properties of 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine?
1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylphenyl)methoxy]-5-fluorophenyl]propan-2-amine is sourced from PubChem (CID 107701121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).