1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine

C16H17BrClNO — CID 63458294

IUPAC1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-2-15(19)16(13-5-3-4-6-14(13)18)20-12-9-7-11(17)8-10-12/h3-10,15-16H,2,19H2,1H3
InChIKeyZUXDGLZPMHOROM-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.96
Rot. Bonds5

About 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine

1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine (PubChem CID 63458294) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
PubChem CID63458294
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C16H17BrClNO/c1-2-15(19)16(13-5-3-4-6-14(13)18)20-12-9-7-11(17)8-10-12/h3-10,15-16H,2,19H2,1H3
InChIKeyZUXDGLZPMHOROM-UHFFFAOYSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(2-chlorophenyl)-1-(3-ethylphenoxy)butan-2-amine
CID 63460803
1-(2-chlorophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459761
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
CID 63459898
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
1-(3-bromo-5-fluorophenoxy)-1-(2-bromophenyl)butan-2-amine
CID 81315466
1-(4-bromophenoxy)-1-(2-bromophenyl)propan-2-amine
CID 55022646
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(2-chlorophenyl)-1-(2-methylpentoxy)butan-2-amine
CID 103282985

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine?
The IUPAC name of 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine (CID 63458294) is 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine?
The canonical SMILES for 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine is CCC(N)C(Oc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine?
The InChIKey is ZUXDGLZPMHOROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-2-15(19)16(13-5-3-4-6-14(13)18)20-12-9-7-11(17)8-10-12/h3-10,15-16H,2,19H2,1H3.
What are the key properties of 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine?
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine has a molecular weight of 354.68 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine is sourced from PubChem (CID 63458294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).