2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

C16H20FNS — CID 79440969

IUPAC2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C16H20FNS/c1-2-8-18-12-14(11-16-7-4-9-19-16)13-5-3-6-15(17)10-13/h3-7,9-10,14,18H,2,8,11-12H2,1H3
InChIKeyBPVDCJODLMUFRJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.21
Rot. Bonds7

About 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine

2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 79440969) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
PubChem CID79440969
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C16H20FNS/c1-2-8-18-12-14(11-16-7-4-9-19-16)13-5-3-6-15(17)10-13/h3-7,9-10,14,18H,2,8,11-12H2,1H3
InChIKeyBPVDCJODLMUFRJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.21
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

2-(3-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79416940
2-(4-methylphenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79436947
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 114871253
N-[2-(4-fluorophenyl)-3-thiophen-2-ylpropyl]-2-methylpropan-1-amine
CID 79437960
N-[3-(4-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79432215
[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]-2-methylpropan-1-amine
CID 115979461
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
2-[4-bromo-3-(3-fluorophenyl)butyl]thiophene
CID 79432221

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine (CID 79440969) is 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is CCCNCC(Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is BPVDCJODLMUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-2-8-18-12-14(11-16-7-4-9-19-16)13-5-3-6-15(17)10-13/h3-7,9-10,14,18H,2,8,11-12H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine?
2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79440969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).