N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

C17H22FNS — CID 43723054

IUPACN-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H22FNS/c1-4-15(13-7-9-14(18)10-8-13)19-17(12(2)3)16-6-5-11-20-16/h5-12,15,17,19H,4H2,1-3H3
InChIKeyOOCZCIZHIISECX-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.33
Rot. Bonds6

About N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine

N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 43723054) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID43723054
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC NameN-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C17H22FNS/c1-4-15(13-7-9-14(18)10-8-13)19-17(12(2)3)16-6-5-11-20-16/h5-12,15,17,19H,4H2,1-3H3
InChIKeyOOCZCIZHIISECX-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2,2-dimethyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 43735017
N-[1-(2-methoxyphenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43783277
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
N-[(4-fluorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43201345
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
(2R)-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]butan-1-ol
CID 103922693
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)heptan-3-amine
CID 43722998

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 43723054) is N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is CCC(NC(c1cccs1)C(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is OOCZCIZHIISECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-4-15(13-7-9-14(18)10-8-13)19-17(12(2)3)16-6-5-11-20-16/h5-12,15,17,19H,4H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43723054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).