1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine

C17H20FNO — CID 107661732

IUPAC1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Oc1cccc(C)c1F
InChIInChI=1S/C17H20FNO/c1-3-14(19)11-13-8-4-5-9-15(13)20-16-10-6-7-12(2)17(16)18/h4-10,14H,3,11,19H2,1-2H3
InChIKeyZXZOIGPHDILGRB-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.21
Rot. Bonds5

About 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine

1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine (PubChem CID 107661732) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
PubChem CID107661732
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1Oc1cccc(C)c1F
InChIInChI=1S/C17H20FNO/c1-3-14(19)11-13-8-4-5-9-15(13)20-16-10-6-7-12(2)17(16)18/h4-10,14H,3,11,19H2,1-2H3
InChIKeyZXZOIGPHDILGRB-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[2-(4-methylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889351
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-[2-(3,5-dimethylphenoxy)phenyl]butan-2-amine;hydrochloride
CID 170889352
1-[2-(2-bromo-4-methylphenoxy)phenyl]butan-2-amine
CID 63802120
1-[5-chloro-2-(2-methylphenoxy)phenyl]butan-2-amine
CID 114862910
1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 107661741
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
1-[4-chloro-2-(2-ethylphenoxy)phenyl]butan-2-amine
CID 114863092

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine (CID 107661732) is 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine is CCC(N)Cc1ccccc1Oc1cccc(C)c1F.
What is the InChIKey of 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine?
The InChIKey is ZXZOIGPHDILGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-14(19)11-13-8-4-5-9-15(13)20-16-10-6-7-12(2)17(16)18/h4-10,14H,3,11,19H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine?
1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-3-methylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 107661732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).