2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine

C15H14Cl3NO — CID 71552691

IUPAC2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-15(2,19)11-7-9(16)3-5-13(11)20-14-6-4-10(17)8-12(14)18/h3-8H,19H2,1-2H3
InChIKeyHZNBKLLDRNOMSI-UHFFFAOYSA-N
MW330.64 g/mol
LogP5.63
Rot. Bonds3

About 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine

2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine (PubChem CID 71552691) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine
PubChem CID71552691
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine
SMILESCC(C)(N)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-15(2,19)11-7-9(16)3-5-13(11)20-14-6-4-10(17)8-12(14)18/h3-8H,19H2,1-2H3
InChIKeyHZNBKLLDRNOMSI-UHFFFAOYSA-N
XLogP5.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine 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

1-[2-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylmethanamine
CID 25033519
1-[2-(2,4-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43283283
(3-((2,4-Dichlorophenoxy)methyl)phenyl)methanamine
CID 43531176
6,8-dichloro-3,4-dihydro-2H-1-benzopyran-4-amine
CID 16244421
N-benzyl-1-(3,5-dichloro-2-methoxyphenyl)methanamine hydrochloride
CID 6458380
[5-Chloro-2-(2,4-dichlorophenoxy)phenyl]methanamine
CID 55193760
2,4-Dichloro-6-phenylphenoxyethylamine
CID 107874
(R)-6,8-Dichlorochroman-4-amine
CID 42220780
8-chloro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 45792206
5,7-Dichloro-2,3-dihydro-1-benzofuran-3-amine hydrochloride
CID 71432685
6,8-dichloro-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride
CID 71432692
(5-Chloro-2-methoxyphenyl)(4-chlorophenyl)methanamine hydrochloride
CID 137971826

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine (CID 71552691) is 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine is CC(C)(N)c1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine?
The InChIKey is HZNBKLLDRNOMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-15(2,19)11-7-9(16)3-5-13(11)20-14-6-4-10(17)8-12(14)18/h3-8H,19H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine?
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine has a molecular weight of 330.64 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 71552691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).