1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine

C14H14BrF2NOS — CID 63268698

IUPAC1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1F)c1cc(Br)cs1
InChIInChI=1S/C14H14BrF2NOS/c1-2-11(18)14(13-5-8(15)7-20-13)19-12-6-9(16)3-4-10(12)17/h3-7,11,14H,2,18H2,1H3
InChIKeyVJWWEXQVLNIUDZ-UHFFFAOYSA-N
MW362.24 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine

1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine (PubChem CID 63268698) has the molecular formula C14H14BrF2NOS and a molecular weight of 362.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
PubChem CID63268698
Molecular FormulaC14H14BrF2NOS
Molecular Weight362.24 g/mol
Exact Mass360.99
IUPAC Name1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1F)c1cc(Br)cs1
InChIInChI=1S/C14H14BrF2NOS/c1-2-11(18)14(13-5-8(15)7-20-13)19-12-6-9(16)3-4-10(12)17/h3-7,11,14H,2,18H2,1H3
InChIKeyVJWWEXQVLNIUDZ-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromothiophen-2-yl)-1-(2,5-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

2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
CID 63269156
1-(4-bromothiophen-2-yl)-1-(2,4-dimethylphenoxy)butan-2-amine
CID 63457964
1-(4-bromothiophen-2-yl)-1-(5-fluoro-2-methylphenoxy)propan-2-amine
CID 102980448
1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63269237
1-(4-bromothiophen-2-yl)-1-(2,2-difluoroethoxy)butan-2-amine
CID 82004527
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911
1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine
CID 102721664
1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
CID 141001836
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-(3-bromophenyl)-1-(2-fluoro-5-methylphenoxy)butan-2-amine
CID 64856145
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(3-bromophenyl)-1-(2,3-difluorophenoxy)butan-2-amine
CID 63038140

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine (CID 63268698) is 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine is CCC(N)C(Oc1cc(F)ccc1F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine?
The InChIKey is VJWWEXQVLNIUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NOS/c1-2-11(18)14(13-5-8(15)7-20-13)19-12-6-9(16)3-4-10(12)17/h3-7,11,14H,2,18H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine?
1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine has a molecular weight of 362.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine is sourced from PubChem (CID 63268698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).