1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine

C11H12BrClFN — CID 117472499

IUPAC1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(Cl)c(F)c2Br)CCCC1
InChIInChI=1S/C11H12BrClFN/c12-9-7(3-4-8(13)10(9)14)11(15)5-1-2-6-11/h3-4H,1-2,5-6,15H2
InChIKeyDZCJPHNXWLMVBC-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.97
Rot. Bonds1

About 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine

1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine (PubChem CID 117472499) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine
PubChem CID117472499
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC Name1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc(Cl)c(F)c2Br)CCCC1
InChIInChI=1S/C11H12BrClFN/c12-9-7(3-4-8(13)10(9)14)11(15)5-1-2-6-11/h3-4H,1-2,5-6,15H2
InChIKeyDZCJPHNXWLMVBC-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022361
(1S)-1-(2-bromo-4-chlorophenyl)ethan-1-amine hydrochloride
CID 139022363
2-(2-Bromo-4-chlorophenyl)-2-fluoroethan-1-amine
CID 57445061
(2-Bromo-4-chloro-3-fluorophenyl)methanamine
CID 117349681
1-[(2-Bromo-4-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446804
4-(2-Bromo-4-chlorophenyl)-1,1-difluorobutan-1-amine
CID 126667253
3-Bromo-1-chloro-2-fluoro-4-[(1-isocyanatocyclopentyl)methyl]benzene
CID 166055222
2-(2-Bromo-5-chlorophenyl)propan-2-amine
CID 83726022
2-(2-Bromo-6-chlorophenyl)propan-2-amine
CID 117374734
(2-Bromo-4-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24710844
(2-Bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24711327
2-(2-Bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 55095388

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine (CID 117472499) is 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine is NC1(c2ccc(Cl)c(F)c2Br)CCCC1.
What is the InChIKey of 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine?
The InChIKey is DZCJPHNXWLMVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c12-9-7(3-4-8(13)10(9)14)11(15)5-1-2-6-11/h3-4H,1-2,5-6,15H2.
What are the key properties of 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine?
1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine has a molecular weight of 292.58 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chloro-3-fluorophenyl)cyclopentan-1-amine is sourced from PubChem (CID 117472499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).