2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine

C16H18BrNO — CID 55022743

IUPAC2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
SMILESCc1cc(C)cc(OC(CN)c2ccccc2Br)c1
InChIInChI=1S/C16H18BrNO/c1-11-7-12(2)9-13(8-11)19-16(10-18)14-5-3-4-6-15(14)17/h3-9,16H,10,18H2,1-2H3
InChIKeyXZLFYBJWGUNXHU-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine

2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine (PubChem CID 55022743) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
PubChem CID55022743
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
SMILESCc1cc(C)cc(OC(CN)c2ccccc2Br)c1
InChIInChI=1S/C16H18BrNO/c1-11-7-12(2)9-13(8-11)19-16(10-18)14-5-3-4-6-15(14)17/h3-9,16H,10,18H2,1-2H3
InChIKeyXZLFYBJWGUNXHU-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine 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

2-(2-bromophenyl)-2-(3-methylphenoxy)ethanamine
CID 55022790
2-(2-bromophenyl)-2-(4-methylphenoxy)ethanamine
CID 55022309
2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
CID 107722774
2-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 63457818
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-bromophenoxy)-2-(2-fluorophenyl)ethanamine
CID 55019037

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine (CID 55022743) is 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine is Cc1cc(C)cc(OC(CN)c2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine?
The InChIKey is XZLFYBJWGUNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-7-12(2)9-13(8-11)19-16(10-18)14-5-3-4-6-15(14)17/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine?
2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine is sourced from PubChem (CID 55022743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).