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

C16H16BrF2NO — CID 63038140

IUPAC1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1cccc(F)c1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-2-13(20)16(10-5-3-6-11(17)9-10)21-14-8-4-7-12(18)15(14)19/h3-9,13,16H,2,20H2,1H3
InChIKeyCYNWLZYAAQPWBQ-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.58
Rot. Bonds5

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

1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine (PubChem CID 63038140) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
PubChem CID63038140
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1cccc(F)c1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2NO/c1-2-13(20)16(10-5-3-6-11(17)9-10)21-14-8-4-7-12(18)15(14)19/h3-9,13,16H,2,20H2,1H3
InChIKeyCYNWLZYAAQPWBQ-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromophenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460434
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(3-bromophenyl)-1-(2-iodophenoxy)butan-2-amine
CID 63459762
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
[2-[2-amino-1-(3-bromophenyl)butoxy]phenyl]methanol
CID 63653949
1-(3-bromophenyl)-1-(4-chloro-2-methylphenoxy)butan-2-amine
CID 63458623
1-(3-bromophenyl)-1-butan-2-yloxybutan-2-amine
CID 55017913
1-(3-bromophenyl)-1-(3,4-dichlorophenoxy)butan-2-amine
CID 63461597
1-(4-bromo-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63459593
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
1-(5-bromo-2-methylphenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 107283412

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine (CID 63038140) is 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine is CCC(N)C(Oc1cccc(F)c1F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine?
The InChIKey is CYNWLZYAAQPWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-2-13(20)16(10-5-3-6-11(17)9-10)21-14-8-4-7-12(18)15(14)19/h3-9,13,16H,2,20H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine?
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine is sourced from PubChem (CID 63038140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).