3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine

C15H22BrNO — CID 116926550

IUPAC3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1c(C)c(C)c(Br)c(C)c1CC1CC(N)C1
InChIInChI=1S/C15H22BrNO/c1-8-9(2)15(18-4)13(10(3)14(8)16)7-11-5-12(17)6-11/h11-12H,5-7,17H2,1-4H3
InChIKeyOLIGMANJYLNGJW-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.66
Rot. Bonds3

About 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine

3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116926550) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
PubChem CID116926550
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1c(C)c(C)c(Br)c(C)c1CC1CC(N)C1
InChIInChI=1S/C15H22BrNO/c1-8-9(2)15(18-4)13(10(3)14(8)16)7-11-5-12(17)6-11/h11-12H,5-7,17H2,1-4H3
InChIKeyOLIGMANJYLNGJW-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine 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-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925185
N'-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 115195356
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116859290
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115261045
[1-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116929655
1-N-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135975
1-(cyclohexylmethyl)-2-methoxy-3,4,5,6-tetramethylbenzene;yttrium
CID 59933483
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-(chloromethyl)ethanamine
CID 115263438

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine (CID 116926550) is 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine is COc1c(C)c(C)c(Br)c(C)c1CC1CC(N)C1.
What is the InChIKey of 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is OLIGMANJYLNGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-8-9(2)15(18-4)13(10(3)14(8)16)7-11-5-12(17)6-11/h11-12H,5-7,17H2,1-4H3.
What are the key properties of 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine?
3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116926550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).