2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine

C17H22FNOS — CID 79433328

IUPAC2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
SMILESCOCCNCC(CCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNOS/c1-20-11-10-19-13-15(6-9-17-3-2-12-21-17)14-4-7-16(18)8-5-14/h2-5,7-8,12,15,19H,6,9-11,13H2,1H3
InChIKeyPZCZKLOWVMMSKL-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.84
Rot. Bonds9

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine

2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 79433328) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID79433328
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine
SMILESCOCCNCC(CCc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C17H22FNOS/c1-20-11-10-19-13-15(6-9-17-3-2-12-21-17)14-4-7-16(18)8-5-14/h2-5,7-8,12,15,19H,6,9-11,13H2,1H3
InChIKeyPZCZKLOWVMMSKL-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.84
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

2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-trimethylsilylpropan-1-amine
CID 106323752
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79433340
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-phenyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 65430973
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437714
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(4-chlorophenyl)-N-(2-methoxyethyl)-4-thiophen-3-ylbutan-1-amine
CID 79433559
1-(2-methoxyethylamino)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317632
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-thiophen-2-ylpropan-1-amine
CID 62717744

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine (CID 79433328) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine is COCCNCC(CCc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is PZCZKLOWVMMSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-20-11-10-19-13-15(6-9-17-3-2-12-21-17)14-4-7-16(18)8-5-14/h2-5,7-8,12,15,19H,6,9-11,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine?
2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 307.43 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 79433328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).