1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine

C13H18BrNO — CID 117457434

IUPAC1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cccc(Br)c1C1(N)CCCC1
InChIInChI=1S/C13H18BrNO/c1-16-9-10-5-4-6-11(14)12(10)13(15)7-2-3-8-13/h4-6H,2-3,7-9,15H2,1H3
InChIKeySNCSBYOGFRHAEJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.32
Rot. Bonds3

About 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine

1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine (PubChem CID 117457434) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
PubChem CID117457434
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cccc(Br)c1C1(N)CCCC1
InChIInChI=1S/C13H18BrNO/c1-16-9-10-5-4-6-11(14)12(10)13(15)7-2-3-8-13/h4-6H,2-3,7-9,15H2,1H3
InChIKeySNCSBYOGFRHAEJ-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117457397
1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457054
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexan-1-amine
CID 117456395
1-(6-bromo-2,3-dimethylphenyl)cyclopentan-1-amine
CID 117423884
1-[4-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117294034
1-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117282705
1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117358994
1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117486610

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine (CID 117457434) is 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine is COCc1cccc(Br)c1C1(N)CCCC1.
What is the InChIKey of 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine?
The InChIKey is SNCSBYOGFRHAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-9-10-5-4-6-11(14)12(10)13(15)7-2-3-8-13/h4-6H,2-3,7-9,15H2,1H3.
What are the key properties of 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine?
1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine has a molecular weight of 284.20 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117457434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).