N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine

C14H20F3NOS — CID 116617798

IUPACN-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCOCCNCC(CCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NOS/c1-19-9-8-18-11-13(7-10-20-14(15,16)17)12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3
InChIKeySEEVLVYECCGXBD-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.65
Rot. Bonds9

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

N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine (PubChem CID 116617798) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
PubChem CID116617798
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
SMILESCOCCNCC(CCSC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NOS/c1-19-9-8-18-11-13(7-10-20-14(15,16)17)12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3
InChIKeySEEVLVYECCGXBD-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-(4-chlorophenyl)-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617850
5-ethylsulfonyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65430810
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 113474262
2-(4-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617831
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(3-bromophenyl)-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617873
N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine
CID 114531489
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine (CID 116617798) is N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine is COCCNCC(CCSC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
The InChIKey is SEEVLVYECCGXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-19-9-8-18-11-13(7-10-20-14(15,16)17)12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine?
N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine has a molecular weight of 307.38 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine is sourced from PubChem (CID 116617798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).