N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine

C15H21BrFN — CID 115863366

IUPACN-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-2-8-18-15(9-11-4-3-5-11)13-7-6-12(17)10-14(13)16/h6-7,10-11,15,18H,2-5,8-9H2,1H3
InChIKeyZOOIMVMOAWNYOK-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.82
Rot. Bonds6

About N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine

N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine (PubChem CID 115863366) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
PubChem CID115863366
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
SMILESCCCNC(CC1CCC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-2-8-18-15(9-11-4-3-5-11)13-7-6-12(17)10-14(13)16/h6-7,10-11,15,18H,2-5,8-9H2,1H3
InChIKeyZOOIMVMOAWNYOK-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]hydrazine
CID 105310051
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
[1-(2-bromo-4-fluorophenyl)-2-cyclohexylethyl]hydrazine
CID 105296167
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
1-(2-bromo-4-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992612

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine (CID 115863366) is N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine is CCCNC(CC1CCC1)c1ccc(F)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
The InChIKey is ZOOIMVMOAWNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-2-8-18-15(9-11-4-3-5-11)13-7-6-12(17)10-14(13)16/h6-7,10-11,15,18H,2-5,8-9H2,1H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine?
N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine has a molecular weight of 314.24 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)-2-cyclobutylethyl]propan-1-amine is sourced from PubChem (CID 115863366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).