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

C13H18F3NOS — CID 64652780

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

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

N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 64652780) has the molecular formula C13H18F3NOS and a molecular weight of 293.35 g/mol. Its IUPAC name is N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID64652780
Molecular FormulaC13H18F3NOS
Molecular Weight293.35 g/mol
Exact Mass293.11
IUPAC NameN-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCCCS(=O)CC(NC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NOS/c1-3-7-19(18)9-12(17-2)10-5-4-6-11(8-10)13(14,15)16/h4-6,8,12,17H,3,7,9H2,1-2H3
InChIKeyHVVIESLECREVTC-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363
2-tert-butylsulfinyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64651105
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
N-methyl-1-(4-phenylphenyl)-2-propylsulfinylethanamine
CID 64652573
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-methyl-1-[3-(trifluoromethyl)phenyl]sulfinylpentan-2-amine
CID 115478128
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 63955363
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 64652780) is N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine is CCCS(=O)CC(NC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HVVIESLECREVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NOS/c1-3-7-19(18)9-12(17-2)10-5-4-6-11(8-10)13(14,15)16/h4-6,8,12,17H,3,7,9H2,1-2H3.
What are the key properties of N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 293.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 64652780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).