N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine

C15H22F3NS — CID 116617750

IUPACN,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCCNCC(CC)(CCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NS/c1-3-14(12-19-4-2,10-11-20-15(16,17)18)13-8-6-5-7-9-13/h5-9,19H,3-4,10-12H2,1-2H3
InChIKeyZWUADFSSHOYJFX-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.59
Rot. Bonds8

About N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine

N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116617750) has the molecular formula C15H22F3NS and a molecular weight of 305.41 g/mol. Its IUPAC name is N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116617750
Molecular FormulaC15H22F3NS
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC NameN,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCCNCC(CC)(CCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C15H22F3NS/c1-3-14(12-19-4-2,10-11-20-15(16,17)18)13-8-6-5-7-9-13/h5-9,19H,3-4,10-12H2,1-2H3
InChIKeyZWUADFSSHOYJFX-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-2-phenyldecan-1-amine
CID 63507626
[1-bromo-2-(bromomethyl)-4-(trifluoromethylsulfanyl)butan-2-yl]benzene
CID 116628065
N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine
CID 65096866
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-ethyl-N-(2-methylpropyl)-2-phenylbutan-1-amine
CID 62594549
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
CID 62724879
2-ethyl-N-(2-methylpropyl)-2-phenyl-4-propan-2-yloxybutan-1-amine
CID 62725451
N,2,2-triethyl-4-phenylsulfanylbutan-1-amine
CID 79228377

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116617750) is N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine is CCNCC(CC)(CCSC(F)(F)F)c1ccccc1.
What is the InChIKey of N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is ZWUADFSSHOYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NS/c1-3-14(12-19-4-2,10-11-20-15(16,17)18)13-8-6-5-7-9-13/h5-9,19H,3-4,10-12H2,1-2H3.
What are the key properties of N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 305.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116617750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).