[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine

C14H13BrFNOS — CID 81329052

IUPAC[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CS(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrFNOS/c15-13-3-1-2-4-14(13)19(18)9-11-7-12(16)6-5-10(11)8-17/h1-7H,8-9,17H2
InChIKeyMMIGBYIFPYYJDB-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.35
Rot. Bonds4

About [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine

[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine (PubChem CID 81329052) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
PubChem CID81329052
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1CS(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrFNOS/c15-13-3-1-2-4-14(13)19(18)9-11-7-12(16)6-5-10(11)8-17/h1-7H,8-9,17H2
InChIKeyMMIGBYIFPYYJDB-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-bromophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81328755
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605
[2-[(4-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81328246
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
[4-fluoro-2-(thiophen-2-ylsulfinylmethyl)phenyl]methanamine
CID 81329556
[2-[(3,4-dichlorophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81333539
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-[(2-bromophenyl)sulfinylmethyl]-2-pyridinyl]methanamine
CID 81328757
3-bromo-4-[(2,5-difluorophenyl)sulfinylmethyl]aniline
CID 61289437
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
2-[(2-bromophenyl)sulfinylmethyl]-3-fluoroaniline
CID 63330729

Frequently Asked Questions

What is the IUPAC name of [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
The IUPAC name of [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine (CID 81329052) is [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine is NCc1ccc(F)cc1CS(=O)c1ccccc1Br.
What is the InChIKey of [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
The InChIKey is MMIGBYIFPYYJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c15-13-3-1-2-4-14(13)19(18)9-11-7-12(16)6-5-10(11)8-17/h1-7H,8-9,17H2.
What are the key properties of [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine?
[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine has a molecular weight of 342.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 81329052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).