1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine

C15H14Cl2FNO — CID 63880238

IUPAC1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(19)7-11-12(16)3-2-4-15(11)20-10-5-6-14(18)13(17)8-10/h2-6,8-9H,7,19H2,1H3
InChIKeyIFRXQYUUHBUZGV-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.81
Rot. Bonds4

About 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine

1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine (PubChem CID 63880238) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
PubChem CID63880238
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9(19)7-11-12(16)3-2-4-15(11)20-10-5-6-14(18)13(17)8-10/h2-6,8-9H,7,19H2,1H3
InChIKeyIFRXQYUUHBUZGV-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)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-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
1-[2-chloro-6-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63815753
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-chloro-6-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 63803488
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
1-[2-(4-chloro-3-fluorophenoxy)phenyl]propan-2-amine
CID 82727101
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321906

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine (CID 63880238) is 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine?
The InChIKey is IFRXQYUUHBUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(19)7-11-12(16)3-2-4-15(11)20-10-5-6-14(18)13(17)8-10/h2-6,8-9H,7,19H2,1H3.
What are the key properties of 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine has a molecular weight of 314.19 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).