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

C14H20F3NO2S — CID 64675011

IUPACN-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(CS(=O)(=O)C(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2S/c1-4-18-13(9-21(19,20)10(2)3)11-6-5-7-12(8-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyQPSFRRULJWNYRM-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.18
Rot. Bonds6

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

N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64675011) has the molecular formula C14H20F3NO2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64675011
Molecular FormulaC14H20F3NO2S
Molecular Weight323.38 g/mol
Exact Mass323.12
IUPAC NameN-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(CS(=O)(=O)C(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2S/c1-4-18-13(9-21(19,20)10(2)3)11-6-5-7-12(8-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3
InChIKeyQPSFRRULJWNYRM-UHFFFAOYSA-N
XLogP3.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 105141438
N-ethyl-2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850631
N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
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
N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81015140
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64675011) is N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine is CCNC(CS(=O)(=O)C(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is QPSFRRULJWNYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2S/c1-4-18-13(9-21(19,20)10(2)3)11-6-5-7-12(8-11)14(15,16)17/h5-8,10,13,18H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 323.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64675011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).