N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine

C15H17FN2S — CID 55240383

IUPACN-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1Sc1ccccn1
InChIInChI=1S/C15H17FN2S/c1-2-8-17-11-12-10-13(16)6-7-14(12)19-15-5-3-4-9-18-15/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyBKBSGFISWBRWBC-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.87
Rot. Bonds6

About N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine

N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine (PubChem CID 55240383) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
PubChem CID55240383
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC NameN-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1Sc1ccccn1
InChIInChI=1S/C15H17FN2S/c1-2-8-17-11-12-10-13(16)6-7-14(12)19-15-5-3-4-9-18-15/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyBKBSGFISWBRWBC-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-[[5-fluoro-2-(1H-imidazol-2-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 114001114
N-[(4-fluoro-2-pyridin-2-ylphenyl)methyl]propan-1-amine
CID 114060229
N-[[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 63808752
N-[(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 63809715
N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluorophenyl]methyl]propan-1-amine
CID 106926785
N-[[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]propan-1-amine
CID 63813190
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
N-[(3-fluoro-4-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63806325
5-fluoro-2-pyridin-2-ylsulfanylbenzaldehyde
CID 63803028
3-[4-fluoro-2-(propylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66128560
N-[[5-fluoro-2-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814240
N-[(4-chloro-2-pyridin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864071

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine (CID 55240383) is N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine is CCCNCc1cc(F)ccc1Sc1ccccn1.
What is the InChIKey of N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine?
The InChIKey is BKBSGFISWBRWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-2-8-17-11-12-10-13(16)6-7-14(12)19-15-5-3-4-9-18-15/h3-7,9-10,17H,2,8,11H2,1H3.
What are the key properties of N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine?
N-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)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-[(5-fluoro-2-pyridin-2-ylsulfanylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 55240383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).