2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine

C17H20FNOS — CID 64658479

IUPAC2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CS(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FNOS/c1-11-8-12(2)17(13(3)9-11)16(19)10-21(20)15-6-4-14(18)5-7-15/h4-9,16H,10,19H2,1-3H3
InChIKeyHAJOCQOGKAHZRG-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.56
Rot. Bonds4

About 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64658479) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64658479
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)CS(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FNOS/c1-11-8-12(2)17(13(3)9-11)16(19)10-21(20)15-6-4-14(18)5-7-15/h4-9,16H,10,19H2,1-3H3
InChIKeyHAJOCQOGKAHZRG-UHFFFAOYSA-N
XLogP3.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanone
CID 64636487
3-amino-4-(4-fluorophenyl)sulfinylbutan-1-ol
CID 64900354
2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine
CID 64660399
2-(benzenesulfinyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64659824
2-(5-fluoro-2-methylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 102981023
2-(3-methoxypropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64657827
3-(4-fluorophenyl)sulfinyl-2-methylpropanoic acid
CID 61304128
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
2-[bis(4-fluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 102424992
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64658479) is 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)CS(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is HAJOCQOGKAHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-11-8-12(2)17(13(3)9-11)16(19)10-21(20)15-6-4-14(18)5-7-15/h4-9,16H,10,19H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 305.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfinyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64658479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).