1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine

C13H18BrNO2 — CID 117483760

IUPAC1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)cc(Br)c1OC
InChIInChI=1S/C13H18BrNO2/c1-16-11-8-9(7-10(14)12(11)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyBLZSBIVESPSZSE-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.19
Rot. Bonds3

About 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine

1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine (PubChem CID 117483760) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
PubChem CID117483760
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)cc(Br)c1OC
InChIInChI=1S/C13H18BrNO2/c1-16-11-8-9(7-10(14)12(11)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyBLZSBIVESPSZSE-UHFFFAOYSA-N
XLogP3.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
CID 117499479
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
4-(3,4,5-trimethoxyphenyl)oxan-4-amine
CID 82304818
1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)cyclopropan-1-amine
CID 117495098
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine (CID 117483760) is 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine is COc1cc(C2(N)CCCC2)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine?
The InChIKey is BLZSBIVESPSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-16-11-8-9(7-10(14)12(11)17-2)13(15)5-3-4-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine?
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine has a molecular weight of 300.20 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117483760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).