N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine

C13H18F3NOS — CID 115478128

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
SMILESCCCC(CS(=O)c1cccc(C(F)(F)F)c1)NC
InChIInChI=1S/C13H18F3NOS/c1-3-5-11(17-2)9-19(18)12-7-4-6-10(8-12)13(14,15)16/h4,6-8,11,17H,3,5,9H2,1-2H3
InChIKeyJBJLXNNOYIYMAE-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine

N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine (PubChem CID 115478128) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
PubChem CID115478128
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
SMILESCCCC(CS(=O)c1cccc(C(F)(F)F)c1)NC
InChIInChI=1S/C13H18F3NOS/c1-3-5-11(17-2)9-19(18)12-7-4-6-10(8-12)13(14,15)16/h4,6-8,11,17H,3,5,9H2,1-2H3
InChIKeyJBJLXNNOYIYMAE-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)phenyl]sulfinylethanamine
CID 115478107
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780
2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052
N-[[3-(trifluoromethyl)phenyl]methyl]hexan-3-amine
CID 62119825
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
CID 115478174
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
CID 53444038
CID 53444038
1-tert-butyl-3-ethylsulfinylbenzene
CID 13237369
1-(3-bromophenyl)sulfinyl-N-methylpropan-2-amine
CID 64658579

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine (CID 115478128) is N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine is CCCC(CS(=O)c1cccc(C(F)(F)F)c1)NC.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine?
The InChIKey is JBJLXNNOYIYMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-3-5-11(17-2)9-19(18)12-7-4-6-10(8-12)13(14,15)16/h4,6-8,11,17H,3,5,9H2,1-2H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine?
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine has a molecular weight of 293.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine is sourced from PubChem (CID 115478128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).