N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine

C13H17BrFN — CID 115892417

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(C)c2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFN/c1-8-5-11(6-8)16-9(2)12-4-3-10(15)7-13(12)14/h3-4,7-9,11,16H,5-6H2,1-2H3
InChIKeyUZTVJXQAGNAKKF-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.04
Rot. Bonds3

About N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine

N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine (PubChem CID 115892417) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
PubChem CID115892417
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(C)c2ccc(F)cc2Br)C1
InChIInChI=1S/C13H17BrFN/c1-8-5-11(6-8)16-9(2)12-4-3-10(15)7-13(12)14/h3-4,7-9,11,16H,5-6H2,1-2H3
InChIKeyUZTVJXQAGNAKKF-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
3-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
CID 107715430
2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
CID 113261573
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
CID 103905794
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81300560
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
CID 130625932

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine (CID 115892417) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine is CC1CC(NC(C)c2ccc(F)cc2Br)C1.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine?
The InChIKey is UZTVJXQAGNAKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-8-5-11(6-8)16-9(2)12-4-3-10(15)7-13(12)14/h3-4,7-9,11,16H,5-6H2,1-2H3.
What are the key properties of N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 4.04, 3 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)ethyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115892417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).