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

C14H12Cl3NO — CID 55022380

IUPAC2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine
SMILESNCC(Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C14H12Cl3NO/c15-11-4-2-1-3-10(11)14(8-18)19-9-5-6-12(16)13(17)7-9/h1-7,14H,8,18H2
InChIKeyGLAJYCHWVWUELG-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.73
Rot. Bonds4

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

2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine (PubChem CID 55022380) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine
PubChem CID55022380
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine
SMILESNCC(Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C14H12Cl3NO/c15-11-4-2-1-3-10(11)14(8-18)19-9-5-6-12(16)13(17)7-9/h1-7,14H,8,18H2
InChIKeyGLAJYCHWVWUELG-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(3,5-difluorophenoxy)ethanamine
CID 62785210
2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
CID 63459216
2-(3-bromophenyl)-2-(3,4-dichlorophenoxy)ethanamine
CID 55194152
2-(2-bromophenoxy)-2-(2-chlorophenyl)ethanamine
CID 55022574
[2-[2-amino-1-(2-chlorophenyl)ethoxy]phenyl]methanol
CID 63653081
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
2-(4-chlorophenoxy)-2-(2-methoxyphenyl)ethanamine
CID 55022034
2-(2-chlorophenyl)-2-quinolin-5-yloxyethanamine
CID 103044176
2-(3-chloro-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 63879326
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine (CID 55022380) is 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine is NCC(Oc1ccc(Cl)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
The InChIKey is GLAJYCHWVWUELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-11-4-2-1-3-10(11)14(8-18)19-9-5-6-12(16)13(17)7-9/h1-7,14H,8,18H2.
What are the key properties of 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine?
2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine has a molecular weight of 316.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(3,4-dichlorophenoxy)ethanamine is sourced from PubChem (CID 55022380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).