1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine

C17H20FNO — CID 63326290

IUPAC1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
SMILESCc1ccc(OCc2ccccc2F)c(CC(C)N)c1
InChIInChI=1S/C17H20FNO/c1-12-7-8-17(15(9-12)10-13(2)19)20-11-14-5-3-4-6-16(14)18/h3-9,13H,10-11,19H2,1-2H3
InChIKeyOSXQWTCVFLRYPP-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.60
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine

1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine (PubChem CID 63326290) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
PubChem CID63326290
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine
SMILESCc1ccc(OCc2ccccc2F)c(CC(C)N)c1
InChIInChI=1S/C17H20FNO/c1-12-7-8-17(15(9-12)10-13(2)19)20-11-14-5-3-4-6-16(14)18/h3-9,13H,10-11,19H2,1-2H3
InChIKeyOSXQWTCVFLRYPP-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63326375
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
(1S)-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 78934333
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]propan-2-amine
CID 63325862
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 63421430
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
1-[2-(methoxymethoxy)-5-methylphenyl]propan-2-amine
CID 65364966
1-[5-methyl-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 55200535
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
(1S)-1-[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 78955044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine (CID 63326290) is 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine is Cc1ccc(OCc2ccccc2F)c(CC(C)N)c1.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine?
The InChIKey is OSXQWTCVFLRYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-7-8-17(15(9-12)10-13(2)19)20-11-14-5-3-4-6-16(14)18/h3-9,13H,10-11,19H2,1-2H3.
What are the key properties of 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine?
1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]propan-2-amine is sourced from PubChem (CID 63326290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).