1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine

C11H17FN2S — CID 104738272

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccncc1F
InChIInChI=1S/C11H17FN2S/c1-3-6-15-8-11(13-2)9-4-5-14-7-10(9)12/h4-5,7,11,13H,3,6,8H2,1-2H3
InChIKeyJAYHZYGJDCPGHN-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.62
Rot. Bonds6

About 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine (PubChem CID 104738272) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
PubChem CID104738272
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
SMILESCCCSCC(NC)c1ccncc1F
InChIInChI=1S/C11H17FN2S/c1-3-6-15-8-11(13-2)9-4-5-14-7-10(9)12/h4-5,7,11,13H,3,6,8H2,1-2H3
InChIKeyJAYHZYGJDCPGHN-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.62
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

N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-methylpropan-1-amine
CID 104738162
1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
CID 105181877
1-(2,6-difluorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129194
3-[1-(methylamino)-2-propylsulfanylethyl]pyridin-2-amine
CID 65128801
1-(2,5-dichlorophenyl)-N-methyl-2-propylsulfanylethanamine
CID 65129380
N-[2-propylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708209
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-propylsulfanylethanamine
CID 107288956
1-(3-fluoro-4-pyridinyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050582
N-methyl-1-phenyl-2-propylsulfanylethanamine
CID 64613859
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine (CID 104738272) is 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine is CCCSCC(NC)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine?
The InChIKey is JAYHZYGJDCPGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-3-6-15-8-11(13-2)9-4-5-14-7-10(9)12/h4-5,7,11,13H,3,6,8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine has a molecular weight of 228.34 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine is sourced from PubChem (CID 104738272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).