[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine

C14H20BrNO2 — CID 117499500

IUPAC[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C)c(Br)c(C2(CN)CCC2)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-7-10(17-2)13(18-3)11(12(9)15)14(8-16)5-4-6-14/h7H,4-6,8,16H2,1-3H3
InChIKeyCQOPPQZSXMLFQL-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.16
Rot. Bonds4

About [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine

[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine (PubChem CID 117499500) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
PubChem CID117499500
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine
SMILESCOc1cc(C)c(Br)c(C2(CN)CCC2)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-7-10(17-2)13(18-3)11(12(9)15)14(8-16)5-4-6-14/h7H,4-6,8,16H2,1-3H3
InChIKeyCQOPPQZSXMLFQL-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444899
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(2,4-dimethoxy-3,6-dimethylphenyl)cyclohexyl]methanamine
CID 117444906
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(2,3,6-trimethoxyphenyl)cyclopentyl]methanamine
CID 117417809
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(3-bromo-2,4-dimethoxyphenyl)cyclopentyl]methanamine
CID 117499488
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
[1-(2,3,5-trimethoxyphenyl)cyclobutyl]methanamine
CID 117381441
[1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclobutyl]methanamine
CID 117377054
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
CID 117113313

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine (CID 117499500) is [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine is COc1cc(C)c(Br)c(C2(CN)CCC2)c1OC.
What is the InChIKey of [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine?
The InChIKey is CQOPPQZSXMLFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-7-10(17-2)13(18-3)11(12(9)15)14(8-16)5-4-6-14/h7H,4-6,8,16H2,1-3H3.
What are the key properties of [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine?
[1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine has a molecular weight of 314.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5,6-dimethoxy-3-methylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117499500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).