1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine

C16H20FNS — CID 114871253

IUPAC1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C16H20FNS/c1-3-16(13-6-4-7-14(17)11-13)18-12(2)10-15-8-5-9-19-15/h4-9,11-12,16,18H,3,10H2,1-2H3
InChIKeyGSZKBFJFODSFIK-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.56
Rot. Bonds6

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

1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine (PubChem CID 114871253) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
PubChem CID114871253
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C16H20FNS/c1-3-16(13-6-4-7-14(17)11-13)18-12(2)10-15-8-5-9-19-15/h4-9,11-12,16,18H,3,10H2,1-2H3
InChIKeyGSZKBFJFODSFIK-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928
2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
N-[1-(3-methylphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43783062
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019874
N-ethyl-1-(3-fluorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645347
3-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43783100

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine (CID 114871253) is 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine is CCC(NC(C)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
The InChIKey is GSZKBFJFODSFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-3-16(13-6-4-7-14(17)11-13)18-12(2)10-15-8-5-9-19-15/h4-9,11-12,16,18H,3,10H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine?
1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 114871253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).