3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine

C12H15BrFN — CID 79740032

IUPAC3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(c2cc(Br)ccc2F)C1
InChIInChI=1S/C12H15BrFN/c1-15-10-4-2-8(6-10)11-7-9(13)3-5-12(11)14/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyMNBQPJQSHFVISB-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.44
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine

3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine (PubChem CID 79740032) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
PubChem CID79740032
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(c2cc(Br)ccc2F)C1
InChIInChI=1S/C12H15BrFN/c1-15-10-4-2-8(6-10)11-7-9(13)3-5-12(11)14/h3,5,7-8,10,15H,2,4,6H2,1H3
InChIKeyMNBQPJQSHFVISB-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
CID 116962663
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
4-bromotricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;methane
CID 159281045
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
6-bromo-2-(2,5-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713236
[(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanamine
CID 94556792
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
CID 116962876
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
2-(5-bromo-2-fluorophenyl)cyclobutan-1-amine
CID 81014478
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679
N-(4-bromo-2-cyclopropylphenyl)acetamide
CID 70079841

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine (CID 79740032) is 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine is CNC1CCC(c2cc(Br)ccc2F)C1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
The InChIKey is MNBQPJQSHFVISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-15-10-4-2-8(6-10)11-7-9(13)3-5-12(11)14/h3,5,7-8,10,15H,2,4,6H2,1H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine?
3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79740032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).