2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine

C13H16BrF2NO — CID 106268473

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(C(N)Cc2c(F)ccc(Br)c2F)CCC1
InChIInChI=1S/C13H16BrF2NO/c1-18-13(5-2-6-13)11(17)7-8-10(15)4-3-9(14)12(8)16/h3-4,11H,2,5-7,17H2,1H3
InChIKeyDLDOQGOGYSLIQJ-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine (PubChem CID 106268473) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
PubChem CID106268473
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(C(N)Cc2c(F)ccc(Br)c2F)CCC1
InChIInChI=1S/C13H16BrF2NO/c1-18-13(5-2-6-13)11(17)7-8-10(15)4-3-9(14)12(8)16/h3-4,11H,2,5-7,17H2,1H3
InChIKeyDLDOQGOGYSLIQJ-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 106268649
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 106271227
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
2-(2-bromo-5-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762517
2-(2,6-difluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 114932736
2-(3-bromo-2,6-difluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 106267698
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
CID 106646099
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 107885160
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine (CID 106268473) is 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine is COC1(C(N)Cc2c(F)ccc(Br)c2F)CCC1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
The InChIKey is DLDOQGOGYSLIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c1-18-13(5-2-6-13)11(17)7-8-10(15)4-3-9(14)12(8)16/h3-4,11H,2,5-7,17H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine has a molecular weight of 320.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 106268473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).