2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine

C14H12BrCl2NO — CID 55194152

IUPAC2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
SMILESNCC(Oc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c15-10-3-1-2-9(6-10)14(8-18)19-11-4-5-12(16)13(17)7-11/h1-7,14H,8,18H2
InChIKeyCASXDPFKQOXREG-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.83
Rot. Bonds4

About 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine

2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine (PubChem CID 55194152) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
PubChem CID55194152
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
SMILESNCC(Oc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C14H12BrCl2NO/c15-10-3-1-2-9(6-10)14(8-18)19-11-4-5-12(16)13(17)7-11/h1-7,14H,8,18H2
InChIKeyCASXDPFKQOXREG-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(3-bromophenyl)-2-(2,4-dichlorophenoxy)ethanamine
CID 55193005
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine
CID 55022380
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(2-bromo-4-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 55017955
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
CID 83233344

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine (CID 55194152) is 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine is NCC(Oc1ccc(Cl)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
The InChIKey is CASXDPFKQOXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-10-3-1-2-9(6-10)14(8-18)19-11-4-5-12(16)13(17)7-11/h1-7,14H,8,18H2.
What are the key properties of 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine has a molecular weight of 361.07 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine is sourced from PubChem (CID 55194152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).