N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine

C15H17FN2S — CID 80639944

IUPACN-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Sc2ccc(F)cc2)nc1
InChIInChI=1S/C15H17FN2S/c1-2-9-17-10-12-3-8-15(18-11-12)19-14-6-4-13(16)5-7-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyFMRPKQZKUIQAFU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.87
Rot. Bonds6

About N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80639944) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID80639944
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC NameN-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Sc2ccc(F)cc2)nc1
InChIInChI=1S/C15H17FN2S/c1-2-9-17-10-12-3-8-15(18-11-12)19-14-6-4-13(16)5-7-14/h3-8,11,17H,2,9-10H2,1H3
InChIKeyFMRPKQZKUIQAFU-UHFFFAOYSA-N
XLogP3.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.87
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-[(6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651243
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
N-[[2-[(4-fluorophenyl)sulfanylmethyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 66065134
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
N-[[6-(2,5-dichlorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80640608
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639477
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine (CID 80639944) is N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(Sc2ccc(F)cc2)nc1.
What is the InChIKey of N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is FMRPKQZKUIQAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-2-9-17-10-12-3-8-15(18-11-12)19-14-6-4-13(16)5-7-14/h3-8,11,17H,2,9-10H2,1H3.
What are the key properties of N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 276.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80639944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).