[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine

C16H18FNOS — CID 81333163

IUPAC[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
SMILESCc1ccccc1CS(=O)Cc1ccc(F)cc1CN
InChIInChI=1S/C16H18FNOS/c1-12-4-2-3-5-13(12)10-20(19)11-14-6-7-16(17)8-15(14)9-18/h2-8H,9-11,18H2,1H3
InChIKeyOWHPYSTXHAZWAT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.04
Rot. Bonds5

About [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine

[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine (PubChem CID 81333163) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
PubChem CID81333163
Molecular FormulaC16H18FNOS
Molecular Weight291.39 g/mol
Exact Mass291.11
IUPAC Name[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
SMILESCc1ccccc1CS(=O)Cc1ccc(F)cc1CN
InChIInChI=1S/C16H18FNOS/c1-12-4-2-3-5-13(12)10-20(19)11-14-6-7-16(17)8-15(14)9-18/h2-8H,9-11,18H2,1H3
InChIKeyOWHPYSTXHAZWAT-UHFFFAOYSA-N
XLogP3.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-5-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 107881573
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
[5-fluoro-2-[(2-methoxyphenyl)sulfinylmethyl]phenyl]methanamine
CID 81328070
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605
[2-[(2-bromophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81328755
2-[[2-(aminomethyl)-4-fluorophenyl]methylsulfinyl]-N-ethylacetamide
CID 114233383
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-(pentylsulfinylmethyl)phenyl]methanamine
CID 107766810
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine (CID 81333163) is [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine is Cc1ccccc1CS(=O)Cc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine?
The InChIKey is OWHPYSTXHAZWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-12-4-2-3-5-13(12)10-20(19)11-14-6-7-16(17)8-15(14)9-18/h2-8H,9-11,18H2,1H3.
What are the key properties of [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine?
[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine has a molecular weight of 291.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 81333163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).