1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine

C17H27BrFNO — CID 116760116

IUPAC1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)C(CC)(CC)OCC
InChIInChI=1S/C17H27BrFNO/c1-5-17(6-2,21-8-4)15(20-7-3)12-13-10-9-11-14(19)16(13)18/h9-11,15,20H,5-8,12H2,1-4H3
InChIKeyZGLTVZDHWXWENW-UHFFFAOYSA-N
MW360.31 g/mol
LogP4.70
Rot. Bonds9

About 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine

1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine (PubChem CID 116760116) has the molecular formula C17H27BrFNO and a molecular weight of 360.31 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
PubChem CID116760116
Molecular FormulaC17H27BrFNO
Molecular Weight360.31 g/mol
Exact Mass359.13
IUPAC Name1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
SMILESCCNC(Cc1cccc(F)c1Br)C(CC)(CC)OCC
InChIInChI=1S/C17H27BrFNO/c1-5-17(6-2,21-8-4)15(20-7-3)12-13-10-9-11-14(19)16(13)18/h9-11,15,20H,5-8,12H2,1-4H3
InChIKeyZGLTVZDHWXWENW-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-fluorophenyl)-N-ethyl-3,3-dimethylpentan-2-amine
CID 105020510
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105172034
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759011
1-(2-bromo-3-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720241
1-(2-bromo-3-fluorophenyl)-N-ethylpent-4-en-2-amine
CID 116660745
1-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
3-ethoxy-3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116760324
2-(2-bromo-3-fluorophenyl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 105020566
2-bromo-1-fluoro-3-(2-methylbutyl)benzene
CID 131992964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine (CID 116760116) is 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine is CCNC(Cc1cccc(F)c1Br)C(CC)(CC)OCC.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
The InChIKey is ZGLTVZDHWXWENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFNO/c1-5-17(6-2,21-8-4)15(20-7-3)12-13-10-9-11-14(19)16(13)18/h9-11,15,20H,5-8,12H2,1-4H3.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine?
1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine has a molecular weight of 360.31 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine is sourced from PubChem (CID 116760116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).