N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine

C15H24FNS — CID 65128468

IUPACN-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)c1cc(F)ccc1C
InChIInChI=1S/C15H24FNS/c1-4-8-17-15(11-18-9-5-2)14-10-13(16)7-6-12(14)3/h6-7,10,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyOPYDALJFUZEAFR-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.32
Rot. Bonds8

About N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine

N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine (PubChem CID 65128468) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
PubChem CID65128468
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)c1cc(F)ccc1C
InChIInChI=1S/C15H24FNS/c1-4-8-17-15(11-18-9-5-2)14-10-13(16)7-6-12(14)3/h6-7,10,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyOPYDALJFUZEAFR-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-propylhexan-1-amine
CID 63416508
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(5-fluoro-2-methylphenyl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105142446
N-[1-(2,4-difluorophenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62800720
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
1-(5-fluoro-2-methylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031710
N-[2-(2-methoxyethylsulfanyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64614717
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
N-[1-(4-ethoxyphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64615746

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine (CID 65128468) is N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine is CCCNC(CSCCC)c1cc(F)ccc1C.
What is the InChIKey of N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
The InChIKey is OPYDALJFUZEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-4-8-17-15(11-18-9-5-2)14-10-13(16)7-6-12(14)3/h6-7,10,15,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine?
N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methylphenyl)-2-propylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65128468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).