1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine

C13H17BrFNO — CID 117486610

IUPAC1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cc(Br)c(F)c(C2(N)CCCC2)c1
InChIInChI=1S/C13H17BrFNO/c1-17-8-9-6-10(12(15)11(14)7-9)13(16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyCIKCMNWQCGPMDX-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.46
Rot. Bonds3

About 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine

1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine (PubChem CID 117486610) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
PubChem CID117486610
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cc(Br)c(F)c(C2(N)CCCC2)c1
InChIInChI=1S/C13H17BrFNO/c1-17-8-9-6-10(12(15)11(14)7-9)13(16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3
InChIKeyCIKCMNWQCGPMDX-UHFFFAOYSA-N
XLogP3.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propan-1-amine
CID 117441898
1-[4-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117294034
1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421966
2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]piperidine
CID 117486581
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117421967
1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117355034

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine (CID 117486610) is 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine is COCc1cc(Br)c(F)c(C2(N)CCCC2)c1.
What is the InChIKey of 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine?
The InChIKey is CIKCMNWQCGPMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-17-8-9-6-10(12(15)11(14)7-9)13(16)4-2-3-5-13/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine?
1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine has a molecular weight of 302.19 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117486610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).