2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine

C15H20BrF2NO2 — CID 106268649

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
SMILESCCOC1(C(N)Cc2c(F)ccc(Br)c2F)CCOCC1
InChIInChI=1S/C15H20BrF2NO2/c1-2-21-15(5-7-20-8-6-15)13(19)9-10-12(17)4-3-11(16)14(10)18/h3-4,13H,2,5-9,19H2,1H3
InChIKeyRHFCUGZDKWDYNW-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.18
Rot. Bonds5

About 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine (PubChem CID 106268649) has the molecular formula C15H20BrF2NO2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
PubChem CID106268649
Molecular FormulaC15H20BrF2NO2
Molecular Weight364.23 g/mol
Exact Mass363.06
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
SMILESCCOC1(C(N)Cc2c(F)ccc(Br)c2F)CCOCC1
InChIInChI=1S/C15H20BrF2NO2/c1-2-21-15(5-7-20-8-6-15)13(19)9-10-12(17)4-3-11(16)14(10)18/h3-4,13H,2,5-9,19H2,1H3
InChIKeyRHFCUGZDKWDYNW-UHFFFAOYSA-N
XLogP3.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
2-(3,4-dichlorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 116765394
1-(3-bromo-2,6-difluorophenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 106267860
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 114166303
2-(2-bromo-4-fluorophenyl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761603
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
1-(3-bromo-2,6-difluorophenyl)-3-methoxyhexan-2-amine
CID 106268510
4-[2-amino-2-(4-ethoxyoxan-4-yl)ethyl]pyridin-2-amine
CID 116765534
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine (CID 106268649) is 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine is CCOC1(C(N)Cc2c(F)ccc(Br)c2F)CCOCC1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
The InChIKey is RHFCUGZDKWDYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO2/c1-2-21-15(5-7-20-8-6-15)13(19)9-10-12(17)4-3-11(16)14(10)18/h3-4,13H,2,5-9,19H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine has a molecular weight of 364.23 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 106268649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).