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

C16H16BrClFNO — CID 65203639

IUPAC1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H16BrClFNO/c1-2-15(20)16(10-4-3-5-11(18)8-10)21-12-6-7-13(17)14(19)9-12/h3-9,15-16H,2,20H2,1H3
InChIKeyWHZFIQFCNFWNRN-UHFFFAOYSA-N
MW372.67 g/mol
LogP5.10
Rot. Bonds5

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

1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine (PubChem CID 65203639) has the molecular formula C16H16BrClFNO and a molecular weight of 372.67 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
PubChem CID65203639
Molecular FormulaC16H16BrClFNO
Molecular Weight372.67 g/mol
Exact Mass371.01
IUPAC Name1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H16BrClFNO/c1-2-15(20)16(10-4-3-5-11(18)8-10)21-12-6-7-13(17)14(19)9-12/h3-9,15-16H,2,20H2,1H3
InChIKeyWHZFIQFCNFWNRN-UHFFFAOYSA-N
XLogP5.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(2-chloro-4-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63461040
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(3-bromo-4-fluorophenoxy)-1-(furan-2-yl)butan-2-amine
CID 83232350
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 83233186

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The IUPAC name of 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine (CID 65203639) is 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(Br)c(F)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
The InChIKey is WHZFIQFCNFWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFNO/c1-2-15(20)16(10-4-3-5-11(18)8-10)21-12-6-7-13(17)14(19)9-12/h3-9,15-16H,2,20H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine?
1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine has a molecular weight of 372.67 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenoxy)-1-(3-chlorophenyl)butan-2-amine is sourced from PubChem (CID 65203639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).