1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine

C16H16Cl2FNO — CID 63461040

IUPAC1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(F)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-14(20)16(10-4-3-5-11(17)8-10)21-15-7-6-12(19)9-13(15)18/h3-9,14,16H,2,20H2,1H3
InChIKeyXVXJGZDIIORNFT-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.99
Rot. Bonds5

About 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine

1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine (PubChem CID 63461040) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
PubChem CID63461040
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(F)cc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-2-14(20)16(10-4-3-5-11(17)8-10)21-15-7-6-12(19)9-13(15)18/h3-9,14,16H,2,20H2,1H3
InChIKeyXVXJGZDIIORNFT-UHFFFAOYSA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(2-chloro-5-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460298
1-(3-chlorophenyl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980563
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
CID 65124629

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine (CID 63461040) is 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(F)cc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The InChIKey is XVXJGZDIIORNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-14(20)16(10-4-3-5-11(17)8-10)21-15-7-6-12(19)9-13(15)18/h3-9,14,16H,2,20H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine has a molecular weight of 328.21 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine is sourced from PubChem (CID 63461040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).