1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

C15H21BrFNO — CID 115846745

IUPAC1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFNO/c1-2-18-15(9-11-5-7-19-8-6-11)13-4-3-12(17)10-14(13)16/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyQSFCLXZXJVPZJW-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.06
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 115846745) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID115846745
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFNO/c1-2-18-15(9-11-5-7-19-8-6-11)13-4-3-12(17)10-14(13)16/h3-4,10-11,15,18H,2,5-9H2,1H3
InChIKeyQSFCLXZXJVPZJW-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863366
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847063
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 66424651
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138597
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(2-bromo-4-fluorophenyl)-N-ethylbut-3-en-1-amine
CID 115814229
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 115846745) is 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is QSFCLXZXJVPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-18-15(9-11-5-7-19-8-6-11)13-4-3-12(17)10-14(13)16/h3-4,10-11,15,18H,2,5-9H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).