N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H20F3NOS — CID 64652363

IUPACN-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCCS(=O)CC(NCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NOS/c1-3-8-20(19)10-13(18-4-2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,3-4,8,10H2,1-2H3
InChIKeyYVTGLASXWFLLEI-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64652363) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64652363
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCCS(=O)CC(NCC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NOS/c1-3-8-20(19)10-13(18-4-2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,3-4,8,10H2,1-2H3
InChIKeyYVTGLASXWFLLEI-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64675011
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
N-ethyl-2-thiophen-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 61078735
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64652363) is N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine is CCCS(=O)CC(NCC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YVTGLASXWFLLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-3-8-20(19)10-13(18-4-2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,3-4,8,10H2,1-2H3.
What are the key properties of N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 307.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64652363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).