1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine

C11H15BrFNOS — CID 81188666

IUPAC1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNOS/c1-11(2,14)7-16(15)6-8-5-9(12)3-4-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyRXZBEMTXEZLEOX-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.57
Rot. Bonds4

About 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine

1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine (PubChem CID 81188666) has the molecular formula C11H15BrFNOS and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
PubChem CID81188666
Molecular FormulaC11H15BrFNOS
Molecular Weight308.22 g/mol
Exact Mass307.00
IUPAC Name1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNOS/c1-11(2,14)7-16(15)6-8-5-9(12)3-4-10(8)13/h3-5H,6-7,14H2,1-2H3
InChIKeyRXZBEMTXEZLEOX-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 103051947
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
4-[(5-bromo-2-fluorophenyl)methylsulfinyl]-3-fluoroaniline
CID 81191662
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060
4-[(2-amino-2-methylpropyl)sulfinylmethyl]-3-chlorobenzonitrile
CID 102670782
3-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-fluorobenzoic acid
CID 80549285
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-[(2-chloro-6-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine
CID 81188182

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine (CID 81188666) is 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine is CC(C)(N)CS(=O)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine?
The InChIKey is RXZBEMTXEZLEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNOS/c1-11(2,14)7-16(15)6-8-5-9(12)3-4-10(8)13/h3-5H,6-7,14H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine?
1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methylsulfinyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81188666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).