2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine

C14H20F3NOS — CID 63981698

IUPAC2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCSCC(C)CNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NOS/c1-10(9-20-3)8-18-11(2)12-4-6-13(7-5-12)19-14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySBEXOSSZRJATHS-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.23
Rot. Bonds7

About 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine

2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 63981698) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
PubChem CID63981698
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
SMILESCSCC(C)CNC(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NOS/c1-10(9-20-3)8-18-11(2)12-4-6-13(7-5-12)19-14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySBEXOSSZRJATHS-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-methylsulfinyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115896100
5-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pentan-2-ol
CID 107270306
2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-methylsulfanylpropan-1-amine
CID 63964174
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]but-2-en-1-amine
CID 106179794
N-[(5-bromothiophen-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 60761159
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
(1S)-N-tert-butylsulfanyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 174916016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine (CID 63981698) is 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine is CSCC(C)CNC(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is SBEXOSSZRJATHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-10(9-20-3)8-18-11(2)12-4-6-13(7-5-12)19-14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine?
2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 307.38 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63981698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).