[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine

C12H13BrF3N — CID 117492969

IUPAC[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2c(F)cc(F)c(Br)c2F)CCCC1
InChIInChI=1S/C12H13BrF3N/c13-10-8(15)5-7(14)9(11(10)16)12(6-17)3-1-2-4-12/h5H,1-4,6,17H2
InChIKeyMYVLBAAVQKZSAD-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.64
Rot. Bonds2

About [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine

[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine (PubChem CID 117492969) has the molecular formula C12H13BrF3N and a molecular weight of 308.14 g/mol. Its IUPAC name is [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
PubChem CID117492969
Molecular FormulaC12H13BrF3N
Molecular Weight308.14 g/mol
Exact Mass307.02
IUPAC Name[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine
SMILESNCC1(c2c(F)cc(F)c(Br)c2F)CCCC1
InChIInChI=1S/C12H13BrF3N/c13-10-8(15)5-7(14)9(11(10)16)12(6-17)3-1-2-4-12/h5H,1-4,6,17H2
InChIKeyMYVLBAAVQKZSAD-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-(4-chloro-2,6-difluorophenyl)cyclopentyl]methanamine
CID 117366660
[1-(2-bromo-3-fluoro-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117499969
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
4-[1-(aminomethyl)cyclopentyl]-3,5-difluorophenol
CID 84791406
[1-(2-bromo-3,4-difluorophenyl)cyclopentyl]methanamine
CID 117468475
[1-(3-chloro-2,4,6-trifluorophenyl)cyclopropyl]methanamine
CID 117343836
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
[1-(4-chloro-2,6-difluorophenyl)cyclopropyl]methanamine
CID 117310224
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine (CID 117492969) is [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine is NCC1(c2c(F)cc(F)c(Br)c2F)CCCC1.
What is the InChIKey of [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine?
The InChIKey is MYVLBAAVQKZSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3N/c13-10-8(15)5-7(14)9(11(10)16)12(6-17)3-1-2-4-12/h5H,1-4,6,17H2.
What are the key properties of [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine?
[1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine has a molecular weight of 308.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,4,6-trifluorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).