1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine

C17H20FNO — CID 102990384

IUPAC1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Oc2cc(F)ccc2C)c1
InChIInChI=1S/C17H20FNO/c1-3-15(19)9-13-5-4-6-16(10-13)20-17-11-14(18)8-7-12(17)2/h4-8,10-11,15H,3,9,19H2,1-2H3
InChIKeyLBIRYLHMLUHVES-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.21
Rot. Bonds5

About 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine

1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine (PubChem CID 102990384) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
PubChem CID102990384
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Oc2cc(F)ccc2C)c1
InChIInChI=1S/C17H20FNO/c1-3-15(19)9-13-5-4-6-16(10-13)20-17-11-14(18)8-7-12(17)2/h4-8,10-11,15H,3,9,19H2,1-2H3
InChIKeyLBIRYLHMLUHVES-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-[3-(2,5-difluorophenoxy)phenyl]butan-2-amine
CID 63944119
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760
1-[3-(3,4-difluorophenoxy)-4-methylphenyl]butan-2-amine
CID 105411167
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 105373754
1-[4-methyl-3-(2-methylphenoxy)phenyl]butan-2-amine
CID 105411019
1-[3-(2-chloro-5-methylphenoxy)phenyl]butan-2-amine
CID 63943720
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[4-methyl-3-(2-methylsulfanylphenoxy)phenyl]butan-2-amine
CID 105411210
1-[3-(4-chloro-3-fluorophenoxy)phenyl]butan-2-amine
CID 82727397
1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 107661741
1-(3-methyl-4-phenoxyphenyl)butan-2-amine
CID 63803795

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine (CID 102990384) is 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine is CCC(N)Cc1cccc(Oc2cc(F)ccc2C)c1.
What is the InChIKey of 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine?
The InChIKey is LBIRYLHMLUHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-15(19)9-13-5-4-6-16(10-13)20-17-11-14(18)8-7-12(17)2/h4-8,10-11,15H,3,9,19H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine?
1-[3-(5-fluoro-2-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-[3-(5-fluoro-2-methylphenoxy)phenyl]butan-2-amine is sourced from PubChem (CID 102990384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).