2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine

C15H21BrFNO — CID 105015601

IUPAC2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)C1CCCCO1
InChIInChI=1S/C15H21BrFNO/c1-2-18-14(15-5-3-4-6-19-15)9-11-7-12(16)10-13(17)8-11/h7-8,10,14-15,18H,2-6,9H2,1H3
InChIKeyHRTAJMZZBIDIDI-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (PubChem CID 105015601) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
PubChem CID105015601
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)cc(Br)c1)C1CCCCO1
InChIInChI=1S/C15H21BrFNO/c1-2-18-14(15-5-3-4-6-19-15)9-11-7-12(16)10-13(17)8-11/h7-8,10,14-15,18H,2-6,9H2,1H3
InChIKeyHRTAJMZZBIDIDI-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962540
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-3-yl)ethanamine
CID 79709136
2-(4-bromophenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 61064439
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 79708965
2-(3,5-dimethylphenyl)-N-ethyl-1-(oxolan-2-yl)ethanamine
CID 65328912
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814
2-(4-tert-butylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115842866
2-(3-bromo-5-fluorophenyl)-1-(4-ethylmorpholin-2-yl)-N-methylethanamine
CID 79709065
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412597
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 106866575
N-[2-(2-bromo-4-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843320

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine (CID 105015601) is 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is CCNC(Cc1cc(F)cc(Br)c1)C1CCCCO1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
The InChIKey is HRTAJMZZBIDIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-2-18-14(15-5-3-4-6-19-15)9-11-7-12(16)10-13(17)8-11/h7-8,10,14-15,18H,2-6,9H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine?
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine has a molecular weight of 330.24 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 105015601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).