1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine

C13H17BrFNO — CID 117486628

IUPAC1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
SMILESCOc1c(F)c(C2(N)CCCC2)cc(C)c1Br
InChIInChI=1S/C13H17BrFNO/c1-8-7-9(13(16)5-3-4-6-13)11(15)12(17-2)10(8)14/h7H,3-6,16H2,1-2H3
InChIKeyMGNVMEHXKUNRSP-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine

1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine (PubChem CID 117486628) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
PubChem CID117486628
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
SMILESCOc1c(F)c(C2(N)CCCC2)cc(C)c1Br
InChIInChI=1S/C13H17BrFNO/c1-8-7-9(13(16)5-3-4-6-13)11(15)12(17-2)10(8)14/h7H,3-6,16H2,1-2H3
InChIKeyMGNVMEHXKUNRSP-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-aminocyclohexyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117386077
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine (CID 117486628) is 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine is COc1c(F)c(C2(N)CCCC2)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine?
The InChIKey is MGNVMEHXKUNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8-7-9(13(16)5-3-4-6-13)11(15)12(17-2)10(8)14/h7H,3-6,16H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine?
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine has a molecular weight of 302.19 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).