1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine

C16H16Cl2FNO — CID 63461965

IUPAC1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16Cl2FNO/c1-2-15(20)16(10-3-5-11(19)6-4-10)21-12-7-8-13(17)14(18)9-12/h3-9,15-16H,2,20H2,1H3
InChIKeyHJOYBZRDMRLWRW-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.99
Rot. Bonds5

About 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine

1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine (PubChem CID 63461965) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
PubChem CID63461965
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H16Cl2FNO/c1-2-15(20)16(10-3-5-11(19)6-4-10)21-12-7-8-13(17)14(18)9-12/h3-9,15-16H,2,20H2,1H3
InChIKeyHJOYBZRDMRLWRW-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-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
1-(4-fluorophenyl)-1-phenoxybutan-2-amine
CID 55015456
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(4-bromophenyl)-1-(3,5-difluorophenoxy)butan-2-amine
CID 62784834
(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylbutan-2-amine
CID 59339729
1-(3-bromo-5-fluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 81313632
1-(4-chloro-3-fluorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 82716704
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 65203639
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
CID 65124629
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine (CID 63461965) is 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine?
The InChIKey is HJOYBZRDMRLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-2-15(20)16(10-3-5-11(19)6-4-10)21-12-7-8-13(17)14(18)9-12/h3-9,15-16H,2,20H2,1H3.
What are the key properties of 1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine?
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)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-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 63461965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).