1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine

C13H18BrNO — CID 117457054

IUPAC1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cc(Br)ccc1C1(N)CCCC1
InChIInChI=1S/C13H18BrNO/c1-16-9-10-8-11(14)4-5-12(10)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyHETGLZQXSLFKOZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.32
Rot. Bonds3

About 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine

1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine (PubChem CID 117457054) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
PubChem CID117457054
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine
SMILESCOCc1cc(Br)ccc1C1(N)CCCC1
InChIInChI=1S/C13H18BrNO/c1-16-9-10-8-11(14)4-5-12(10)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3
InChIKeyHETGLZQXSLFKOZ-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-[4-fluoro-2-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117320330
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457434
1-[2,3-dimethoxy-4-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117381454
1-[7-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]cyclohexan-1-amine
CID 117444632
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117486610
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine (CID 117457054) is 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine is COCc1cc(Br)ccc1C1(N)CCCC1.
What is the InChIKey of 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
The InChIKey is HETGLZQXSLFKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-9-10-8-11(14)4-5-12(10)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,9,15H2,1H3.
What are the key properties of 1-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine?
1-[4-bromo-2-(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-[4-bromo-2-(methoxymethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117457054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).