[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone

C15H16BrNOS — CID 84611702

IUPAC[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
SMILESCC(C)(CN)c1cccc(C(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H16BrNOS/c1-15(2,9-17)11-5-3-4-10(8-11)14(18)12-6-7-13(16)19-12/h3-8H,9,17H2,1-2H3
InChIKeyOXHFVBILEIFXPK-UHFFFAOYSA-N
MW338.27 g/mol
LogP3.98
Rot. Bonds4

About [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone

[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone (PubChem CID 84611702) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
PubChem CID84611702
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
SMILESCC(C)(CN)c1cccc(C(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H16BrNOS/c1-15(2,9-17)11-5-3-4-10(8-11)14(18)12-6-7-13(16)19-12/h3-8H,9,17H2,1-2H3
InChIKeyOXHFVBILEIFXPK-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone
CID 84611700
[3-(1-amino-2-methylpropan-2-yl)phenyl]-(4-bromothiophen-2-yl)methanone
CID 84611703
3-(5-bromothiophene-2-carbonyl)benzoic acid
CID 91881878
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(5-bromothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66258191
2-[3-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine
CID 57243357
(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
CID 61102051
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
(5-bromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 43462600
(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
CID 43462756
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491329

Frequently Asked Questions

What is the IUPAC name of [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
The IUPAC name of [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone (CID 84611702) is [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone.
What is the SMILES notation for [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
The canonical SMILES for [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone is CC(C)(CN)c1cccc(C(=O)c2ccc(Br)s2)c1.
What is the InChIKey of [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
The InChIKey is OXHFVBILEIFXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-15(2,9-17)11-5-3-4-10(8-11)14(18)12-6-7-13(16)19-12/h3-8H,9,17H2,1-2H3.
What are the key properties of [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone?
[3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone has a molecular weight of 338.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-amino-2-methylpropan-2-yl)phenyl]-(5-bromothiophen-2-yl)methanone is sourced from PubChem (CID 84611702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).