3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine

C17H28FNO — CID 116759306

IUPAC3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)C(C)(CC)OCC
InChIInChI=1S/C17H28FNO/c1-5-12-19-16(17(4,6-2)20-7-3)13-14-8-10-15(18)11-9-14/h8-11,16,19H,5-7,12-13H2,1-4H3
InChIKeyJJBGWQFVGOABDM-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.94
Rot. Bonds9

About 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine

3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine (PubChem CID 116759306) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
PubChem CID116759306
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)C(C)(CC)OCC
InChIInChI=1S/C17H28FNO/c1-5-12-19-16(17(4,6-2)20-7-3)13-14-8-10-15(18)11-9-14/h8-11,16,19H,5-7,12-13H2,1-4H3
InChIKeyJJBGWQFVGOABDM-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-(4-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79198282
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
3-ethoxy-3-ethyl-1-(4-methylphenyl)-N-propylpentan-2-amine
CID 116760344
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
1-(4-bromophenyl)-3-ethoxy-3-ethyl-N-propylpentan-2-amine
CID 116760397
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
CID 116759325
1-(2,5-dichlorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 116759408

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine (CID 116759306) is 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(F)cc1)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine?
The InChIKey is JJBGWQFVGOABDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-12-19-16(17(4,6-2)20-7-3)13-14-8-10-15(18)11-9-14/h8-11,16,19H,5-7,12-13H2,1-4H3.
What are the key properties of 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine?
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116759306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).