1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine

C13H20FNO — CID 170890449

IUPAC1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
SMILESCCOc1c(C)cc(F)cc1CC(N)CC
InChIInChI=1S/C13H20FNO/c1-4-12(15)8-10-7-11(14)6-9(3)13(10)16-5-2/h6-7,12H,4-5,8,15H2,1-3H3
InChIKeyFAWOXWGIXKNESD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine

1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine (PubChem CID 170890449) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
PubChem CID170890449
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine
SMILESCCOc1c(C)cc(F)cc1CC(N)CC
InChIInChI=1S/C13H20FNO/c1-4-12(15)8-10-7-11(14)6-9(3)13(10)16-5-2/h6-7,12H,4-5,8,15H2,1-3H3
InChIKeyFAWOXWGIXKNESD-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
1-(2-ethoxy-4,5-dimethylphenyl)butan-2-amine
CID 170890416
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
CID 170890049
1-[5-bromo-3-methyl-2-(2-methylbutoxy)phenyl]butan-2-amine
CID 112621761
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
CID 115962991
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
1-(4-ethoxy-3,5-dimethoxyphenyl)butan-2-amine
CID 60907779
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-[5-bromo-3-methyl-2-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 115962988

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine (CID 170890449) is 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine is CCOc1c(C)cc(F)cc1CC(N)CC.
What is the InChIKey of 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine?
The InChIKey is FAWOXWGIXKNESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-12(15)8-10-7-11(14)6-9(3)13(10)16-5-2/h6-7,12H,4-5,8,15H2,1-3H3.
What are the key properties of 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine?
1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-fluoro-3-methylphenyl)butan-2-amine is sourced from PubChem (CID 170890449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).