1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine

C13H16BrF2N — CID 106944871

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H16BrF2N/c1-17-11(7-8-3-2-4-8)12-10(15)6-5-9(14)13(12)16/h5-6,8,11,17H,2-4,7H2,1H3
InChIKeyURNKYFYMFFMJRF-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.18
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine

1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine (PubChem CID 106944871) has the molecular formula C13H16BrF2N and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
PubChem CID106944871
Molecular FormulaC13H16BrF2N
Molecular Weight304.18 g/mol
Exact Mass303.04
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine
SMILESCNC(CC1CCC1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H16BrF2N/c1-17-11(7-8-3-2-4-8)12-10(15)6-5-9(14)13(12)16/h5-6,8,11,17H,2-4,7H2,1H3
InChIKeyURNKYFYMFFMJRF-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromo-2,6-difluorophenyl)-2-cyclobutylethyl]hydrazine
CID 106945539
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 106942992
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 106942409
[2-cyclobutyl-1-(2,6-difluoro-3-methylphenyl)ethyl]hydrazine
CID 105310002
1-(3-bromo-2,6-difluorophenyl)-2-cycloheptylethanamine
CID 106944608
1-(3-bromo-2-fluorophenyl)-2-cycloheptyl-N-methylethanamine
CID 106647929
(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 106942370
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106944913
1-(2-bromo-5-fluorophenyl)-3-cyclobutyl-N-methylpropan-2-amine
CID 103168480
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 114887295
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 106942393

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine (CID 106944871) is 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine is CNC(CC1CCC1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine?
The InChIKey is URNKYFYMFFMJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2N/c1-17-11(7-8-3-2-4-8)12-10(15)6-5-9(14)13(12)16/h5-6,8,11,17H,2-4,7H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine?
1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine has a molecular weight of 304.18 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-cyclobutyl-N-methylethanamine is sourced from PubChem (CID 106944871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).