1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine

C15H21BrFNO — CID 116723613

IUPAC1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
SMILESCCNC(c1cc(Br)ccc1F)C(OCC)C1CC1
InChIInChI=1S/C15H21BrFNO/c1-3-18-14(15(19-4-2)10-5-6-10)12-9-11(16)7-8-13(12)17/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeyVGIKXHYQMFIGBA-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.05
Rot. Bonds7

About 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine

1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine (PubChem CID 116723613) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
PubChem CID116723613
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
SMILESCCNC(c1cc(Br)ccc1F)C(OCC)C1CC1
InChIInChI=1S/C15H21BrFNO/c1-3-18-14(15(19-4-2)10-5-6-10)12-9-11(16)7-8-13(12)17/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeyVGIKXHYQMFIGBA-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 116721383
1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725766
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 116723659
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105011902
2-cyclopropyl-1-(2,5-difluorophenyl)-N-ethylpropan-1-amine
CID 83153802
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
[2-cyclopropyl-1-(2,4-difluorophenyl)-2-ethoxyethyl]hydrazine
CID 105273134
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
2-cyclopropyl-2-ethoxy-N-ethyl-1-quinolin-5-ylethanamine
CID 116723731
2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine (CID 116723613) is 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine is CCNC(c1cc(Br)ccc1F)C(OCC)C1CC1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine?
The InChIKey is VGIKXHYQMFIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-3-18-14(15(19-4-2)10-5-6-10)12-9-11(16)7-8-13(12)17/h7-10,14-15,18H,3-6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine?
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine has a molecular weight of 330.24 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 116723613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).