4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine

C15H24FNO2 — CID 103434758

IUPAC4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H24FNO2/c1-11-6-7-13(14(19-4)12(11)2)15(16,10-18-3)8-5-9-17/h6-7H,5,8-10,17H2,1-4H3
InChIKeyCFIRUKSFHGORPU-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.86
Rot. Bonds7

About 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine

4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine (PubChem CID 103434758) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine
PubChem CID103434758
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1ccc(C)c(C)c1OC
InChIInChI=1S/C15H24FNO2/c1-11-6-7-13(14(19-4)12(11)2)15(16,10-18-3)8-5-9-17/h6-7H,5,8-10,17H2,1-4H3
InChIKeyCFIRUKSFHGORPU-UHFFFAOYSA-N
XLogP2.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine (CID 103434758) is 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine is COCC(F)(CCCN)c1ccc(C)c(C)c1OC.
What is the InChIKey of 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine?
The InChIKey is CFIRUKSFHGORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11-6-7-13(14(19-4)12(11)2)15(16,10-18-3)8-5-9-17/h6-7H,5,8-10,17H2,1-4H3.
What are the key properties of 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine?
4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine has a molecular weight of 269.36 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine is sourced from PubChem (CID 103434758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).