4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine

C17H28FNO — CID 106883923

IUPAC4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H28FNO/c1-5-9-19-16(8-7-10-20-6-2)17-14(4)11-13(3)12-15(17)18/h11-12,16,19H,5-10H2,1-4H3
InChIKeyCICFZFMMMUGOBQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.30
Rot. Bonds9

About 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine

4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine (PubChem CID 106883923) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
PubChem CID106883923
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H28FNO/c1-5-9-19-16(8-7-10-20-6-2)17-14(4)11-13(3)12-15(17)18/h11-12,16,19H,5-10H2,1-4H3
InChIKeyCICFZFMMMUGOBQ-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
CID 106881429
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine (CID 106883923) is 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine is CCCNC(CCCOCC)c1c(C)cc(C)cc1F.
What is the InChIKey of 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine?
The InChIKey is CICFZFMMMUGOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-9-19-16(8-7-10-20-6-2)17-14(4)11-13(3)12-15(17)18/h11-12,16,19H,5-10H2,1-4H3.
What are the key properties of 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine?
4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 106883923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).