1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine

C13H20FNO2 — CID 117355444

IUPAC1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
SMILESCOc1cc(OC)c(C(C)F)cc1CC(C)N
InChIInChI=1S/C13H20FNO2/c1-8(15)5-10-6-11(9(2)14)13(17-4)7-12(10)16-3/h6-9H,5,15H2,1-4H3
InChIKeyFOLVYNSEZIIPCH-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.62
Rot. Bonds5

About 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine

1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine (PubChem CID 117355444) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
PubChem CID117355444
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine
SMILESCOc1cc(OC)c(C(C)F)cc1CC(C)N
InChIInChI=1S/C13H20FNO2/c1-8(15)5-10-6-11(9(2)14)13(17-4)7-12(10)16-3/h6-9H,5,15H2,1-4H3
InChIKeyFOLVYNSEZIIPCH-UHFFFAOYSA-N
XLogP2.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
CID 117327151
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-ol
CID 117357814
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117359818
1-[2,5-dimethoxy-4-(5,5,5-trifluoropentyl)phenyl]propan-2-amine
CID 165123589
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
(2R)-1-(4-benzyl-2,5-dimethoxyphenyl)propan-2-amine
CID 69398998
2-[[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]methyl]piperidine
CID 117451779

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine?
The IUPAC name of 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine (CID 117355444) is 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine is COc1cc(OC)c(C(C)F)cc1CC(C)N.
What is the InChIKey of 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine?
The InChIKey is FOLVYNSEZIIPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-8(15)5-10-6-11(9(2)14)13(17-4)7-12(10)16-3/h6-9H,5,15H2,1-4H3.
What are the key properties of 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine?
1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]propan-2-amine is sourced from PubChem (CID 117355444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).