N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C14H20F3NOS — CID 64652133

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

About N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 64652133) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID64652133
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NOS/c1-3-8-18-13(10-20(19)4-2)11-6-5-7-12(9-11)14(15,16)17/h5-7,9,13,18H,3-4,8,10H2,1-2H3
InChIKeyZFYFZXUQGHZRHW-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-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine 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-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652780
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
N-[2-(2-methylpropylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64610296
N-[2-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64611916
N-[2-butan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64612803
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-propyl-2-[3-(trifluoromethyl)phenyl]hexan-3-amine
CID 83050807
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 64652133) is N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(CS(=O)CC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is ZFYFZXUQGHZRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-3-8-18-13(10-20(19)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-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine 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-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 64652133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).