N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

C16H21FN2S — CID 115938783

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC(C)(C)c1cccs1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN2S/c1-4-13(14-8-7-12(17)10-18-14)19-11-16(2,3)15-6-5-9-20-15/h5-10,13,19H,4,11H2,1-3H3
InChIKeyZZYCPALTUWUECR-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (PubChem CID 115938783) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
PubChem CID115938783
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
SMILESCCC(NCC(C)(C)c1cccs1)c1ccc(F)cn1
InChIInChI=1S/C16H21FN2S/c1-4-13(14-8-7-12(17)10-18-14)19-11-16(2,3)15-6-5-9-20-15/h5-10,13,19H,4,11H2,1-3H3
InChIKeyZZYCPALTUWUECR-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528270
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583232
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103948352
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 142702173
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine (CID 115938783) is N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is CCC(NCC(C)(C)c1cccs1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
The InChIKey is ZZYCPALTUWUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-4-13(14-8-7-12(17)10-18-14)19-11-16(2,3)15-6-5-9-20-15/h5-10,13,19H,4,11H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115938783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).