2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine

C15H15BrClNO — CID 55020468

IUPAC2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H15BrClNO/c1-10-3-2-4-11(7-10)15(9-18)19-14-6-5-12(17)8-13(14)16/h2-8,15H,9,18H2,1H3
InChIKeyNCKICMQUBTUDDD-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.49
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine

2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine (PubChem CID 55020468) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
PubChem CID55020468
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H15BrClNO/c1-10-3-2-4-11(7-10)15(9-18)19-14-6-5-12(17)8-13(14)16/h2-8,15H,9,18H2,1H3
InChIKeyNCKICMQUBTUDDD-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)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-chloro-5-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020668
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
2-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)ethanamine
CID 55019513
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
3-amino-1-(2-bromo-4-chlorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 107994915
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
[4-[2-amino-1-(3-chlorophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742711
2-(3-chlorophenyl)-2-(2,3-dichlorophenoxy)ethanamine
CID 55019612

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine (CID 55020468) is 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)Oc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine?
The InChIKey is NCKICMQUBTUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10-3-2-4-11(7-10)15(9-18)19-14-6-5-12(17)8-13(14)16/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine?
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine has a molecular weight of 340.65 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 55020468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).