1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine

C12H18FNOS — CID 143236247

IUPAC1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
SMILESCCC(NCCCSO)c1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-2-12(14-8-5-9-16-15)10-6-3-4-7-11(10)13/h3-4,6-7,12,14-15H,2,5,8-9H2,1H3
InChIKeyGZJWKCRKGKVPAU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine

1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine (PubChem CID 143236247) has the molecular formula C12H18FNOS and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
PubChem CID143236247
Molecular FormulaC12H18FNOS
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
SMILESCCC(NCCCSO)c1ccccc1F
InChIInChI=1S/C12H18FNOS/c1-2-12(14-8-5-9-16-15)10-6-3-4-7-11(10)13/h3-4,6-7,12,14-15H,2,5,8-9H2,1H3
InChIKeyGZJWKCRKGKVPAU-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-(2-fluorophenyl)propylamino]propyl]methanesulfonamide
CID 103947611
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
N-[2-(cyclopenten-1-yl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 106169208
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
tert-butyl N-[3-[1-(2-fluorophenyl)propylamino]propyl]-N-methylcarbamate
CID 107242068
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
CID 112633066
1-(2-fluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103949567
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115970369
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine (CID 143236247) is 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine is CCC(NCCCSO)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine?
The InChIKey is GZJWKCRKGKVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNOS/c1-2-12(14-8-5-9-16-15)10-6-3-4-7-11(10)13/h3-4,6-7,12,14-15H,2,5,8-9H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine?
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine is sourced from PubChem (CID 143236247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).