cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine

C11H13BrFNO — CID 67195127

IUPACcis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO/c12-8-5-4-7(6-9(8)13)15-11-3-1-2-10(11)14/h4-6,10-11H,1-3,14H2/t10-,11+/m0/s1
InChIKeyBZFCZXJSNNGZFW-WDEREUQCSA-N
MW274.13 g/mol
LogP2.85
Rot. Bonds2

About cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine

cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine (PubChem CID 67195127) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine
PubChem CID67195127
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Namecis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFNO/c12-8-5-4-7(6-9(8)13)15-11-3-1-2-10(11)14/h4-6,10-11H,1-3,14H2/t10-,11+/m0/s1
InChIKeyBZFCZXJSNNGZFW-WDEREUQCSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-(4-Bromophenoxy)ethyl)(methyl)amine
CID 2160989
3-(4-Bromophenoxy)pyrrolidine
CID 12999572
2-(4-Bromophenoxy)propan-1-amine
CID 22388589
4-(4-Bromophenoxy)butan-1-amine
CID 43531088
1-(2-Aminoethoxy)-4-bromobenzene hydrochloride
CID 45790879
rac-(1R,2R)-2-phenoxycyclopentan-1-amine hydrochloride
CID 67724051
2-(3-Bromophenoxy)ethylamine
CID 16770281
(2S)-2-(4-bromophenoxy)propylamine
CID 20806721
2-(2-Bromo-phenoxy)-ethylamine
CID 22688745
1-(4-Bromophenoxy)propan-2-amine
CID 144411
2-(4-Bromophenoxy)ethanamine
CID 16764930
2-(3-Bromophenoxy)ethan-1-amine hydrochloride
CID 45791940

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine (CID 67195127) is cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine is N[C@H]1CCC[C@H]1Oc1ccc(Br)c(F)c1.
What is the InChIKey of cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine?
The InChIKey is BZFCZXJSNNGZFW-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-8-5-4-7(6-9(8)13)15-11-3-1-2-10(11)14/h4-6,10-11H,1-3,14H2/t10-,11+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine?
cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine has a molecular weight of 274.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-bromo-3-fluorophenoxy)cyclopentan-1-amine is sourced from PubChem (CID 67195127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).