2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine

C12H18BrNO3S — CID 116853447

IUPAC2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine
SMILESCOc1c(C)c(C)c(Br)c(C)c1S(=O)(=O)CCN
InChIInChI=1S/C12H18BrNO3S/c1-7-8(2)11(17-4)12(9(3)10(7)13)18(15,16)6-5-14/h5-6,14H2,1-4H3
InChIKeyYHDNLVQFQKEOKM-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.12
Rot. Bonds4

About 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine

2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine (PubChem CID 116853447) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine
PubChem CID116853447
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine
SMILESCOc1c(C)c(C)c(Br)c(C)c1S(=O)(=O)CCN
InChIInChI=1S/C12H18BrNO3S/c1-7-8(2)11(17-4)12(9(3)10(7)13)18(15,16)6-5-14/h5-6,14H2,1-4H3
InChIKeyYHDNLVQFQKEOKM-UHFFFAOYSA-N
XLogP2.12
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine 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

4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825
N'-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 115195356
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925185
2-(5-bromo-2-methoxy-N,3,4,6-tetramethylanilino)acetaldehyde
CID 115222859
1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116855759
1-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-sulfanylethanone
CID 116829936
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
1-N-[(5-bromo-2-methoxy-3,4,6-trimethylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135975
2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 11097704
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-2-one
CID 116927740
5-bromo-N-(hydrazinylmethyl)-2-methoxy-N,3,4,6-tetramethylaniline
CID 115260712

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine?
The IUPAC name of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine (CID 116853447) is 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine is COc1c(C)c(C)c(Br)c(C)c1S(=O)(=O)CCN.
What is the InChIKey of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine?
The InChIKey is YHDNLVQFQKEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-7-8(2)11(17-4)12(9(3)10(7)13)18(15,16)6-5-14/h5-6,14H2,1-4H3.
What are the key properties of 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine?
2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine has a molecular weight of 336.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)sulfonylethanamine is sourced from PubChem (CID 116853447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).