3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine

C16H26FNO2 — CID 64532602

IUPAC3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)C(C)OCC
InChIInChI=1S/C16H26FNO2/c1-5-9-18-15(12(3)20-6-2)11-13-7-8-16(19-4)14(17)10-13/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3
InChIKeyUHVYAUFSCQLVTN-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.17
Rot. Bonds9

About 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine

3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine (PubChem CID 64532602) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
PubChem CID64532602
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(OC)c(F)c1)C(C)OCC
InChIInChI=1S/C16H26FNO2/c1-5-9-18-15(12(3)20-6-2)11-13-7-8-16(19-4)14(17)10-13/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3
InChIKeyUHVYAUFSCQLVTN-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131905
1-(3-bromo-4-methoxyphenyl)-3-methoxy-N-propylbutan-2-amine
CID 79616476
1-(3-fluoro-4-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105122233
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
1-(3,4-dimethoxyphenyl)-2-methyl-N-propylhexan-3-amine
CID 83052232
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198045
1-(3,5-dimethylphenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535226
1-(3-fluoro-4-methoxyphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047153
N-[2-(3-fluoro-4-methoxyphenyl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105122244
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-propylbutan-2-amine
CID 64535624
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine (CID 64532602) is 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine is CCCNC(Cc1ccc(OC)c(F)c1)C(C)OCC.
What is the InChIKey of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is UHVYAUFSCQLVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-5-9-18-15(12(3)20-6-2)11-13-7-8-16(19-4)14(17)10-13/h7-8,10,12,15,18H,5-6,9,11H2,1-4H3.
What are the key properties of 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine?
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 64532602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).