N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine

C14H20F3NS — CID 116627244

IUPACN-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESCCNC(CCCCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NS/c1-2-18-13(12-8-4-3-5-9-12)10-6-7-11-19-14(15,16)17/h3-5,8-9,13,18H,2,6-7,10-11H2,1H3
InChIKeyMXVZPNHGGVYJJN-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.76
Rot. Bonds8

About N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine

N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine (PubChem CID 116627244) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
PubChem CID116627244
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC NameN-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
SMILESCCNC(CCCCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NS/c1-2-18-13(12-8-4-3-5-9-12)10-6-7-11-19-14(15,16)17/h3-5,8-9,13,18H,2,6-7,10-11H2,1H3
InChIKeyMXVZPNHGGVYJJN-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3,3-dimethyl-1-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-1-amine
CID 106427012
4-(2,6-difluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 114934436
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-ethyl-1-phenyl-5-propan-2-ylsulfonylpentan-1-amine
CID 106732316
2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628129
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-(2,2-dimethylpropyl)-1-phenylhexan-1-amine
CID 63452356
N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
CID 64502031
N'-[3-(dimethylamino)propyl]-N-ethyl-N'-methyl-1-phenylpropane-1,3-diamine
CID 63699665

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine (CID 116627244) is N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine is CCNC(CCCCSC(F)(F)F)c1ccccc1.
What is the InChIKey of N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
The InChIKey is MXVZPNHGGVYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-2-18-13(12-8-4-3-5-9-12)10-6-7-11-19-14(15,16)17/h3-5,8-9,13,18H,2,6-7,10-11H2,1H3.
What are the key properties of N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine?
N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine is sourced from PubChem (CID 116627244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).