N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine

C23H24BrNO2 — CID 166385004

IUPACN-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
SMILESCOc1ccccc1-c1ccc(C(C)NCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H24BrNO2/c1-17(25-15-16-27-21-13-11-20(24)12-14-21)18-7-9-19(10-8-18)22-5-3-4-6-23(22)26-2/h3-14,17,25H,15-16H2,1-2H3
InChIKeyVLFZFSHVKQNSGW-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.85
Rot. Bonds8

About N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine

N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine (PubChem CID 166385004) has the molecular formula C23H24BrNO2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
PubChem CID166385004
Molecular FormulaC23H24BrNO2
Molecular Weight426.35 g/mol
Exact Mass425.10
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
SMILESCOc1ccccc1-c1ccc(C(C)NCCOc2ccc(Br)cc2)cc1
InChIInChI=1S/C23H24BrNO2/c1-17(25-15-16-27-21-13-11-20(24)12-14-21)18-7-9-19(10-8-18)22-5-3-4-6-23(22)26-2/h3-14,17,25H,15-16H2,1-2H3
InChIKeyVLFZFSHVKQNSGW-UHFFFAOYSA-N
XLogP5.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]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

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
CID 166242699
N-[2-(4-bromophenoxy)ethyl]-1-(3-chlorophenyl)ethanamine
CID 63491866
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine (CID 166385004) is N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine is COc1ccccc1-c1ccc(C(C)NCCOc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine?
The InChIKey is VLFZFSHVKQNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO2/c1-17(25-15-16-27-21-13-11-20(24)12-14-21)18-7-9-19(10-8-18)22-5-3-4-6-23(22)26-2/h3-14,17,25H,15-16H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine?
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine has a molecular weight of 426.35 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 166385004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).