1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine

C16H16BrCl2NO — CID 63459898

IUPAC1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C16H16BrCl2NO/c1-2-13(20)16(10-6-3-4-7-11(10)17)21-14-9-5-8-12(18)15(14)19/h3-9,13,16H,2,20H2,1H3
InChIKeyZUFXXASAWWGJDT-UHFFFAOYSA-N
MW389.12 g/mol
LogP5.61
Rot. Bonds5

About 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine

1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine (PubChem CID 63459898) has the molecular formula C16H16BrCl2NO and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
PubChem CID63459898
Molecular FormulaC16H16BrCl2NO
Molecular Weight389.12 g/mol
Exact Mass386.98
IUPAC Name1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1cccc(Cl)c1Cl)c1ccccc1Br
InChIInChI=1S/C16H16BrCl2NO/c1-2-13(20)16(10-6-3-4-7-11(10)17)21-14-9-5-8-12(18)15(14)19/h3-9,13,16H,2,20H2,1H3
InChIKeyZUFXXASAWWGJDT-UHFFFAOYSA-N
XLogP5.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.12
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294
1-(3-bromo-5-fluorophenoxy)-1-(2-bromophenyl)butan-2-amine
CID 81315466
1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 63537237
1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55022406
1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
CID 63460803
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
2-(2,3-dichlorophenoxy)-2-(2-methylphenyl)ethanamine
CID 55018621

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine (CID 63459898) is 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine is CCC(N)C(Oc1cccc(Cl)c1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine?
The InChIKey is ZUFXXASAWWGJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO/c1-2-13(20)16(10-6-3-4-7-11(10)17)21-14-9-5-8-12(18)15(14)19/h3-9,13,16H,2,20H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine?
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine has a molecular weight of 389.12 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine is sourced from PubChem (CID 63459898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).