N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine

C15H24FNOS — CID 107696513

IUPACN-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCSCCCOc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNOS/c1-15(2,3)17-11-12-10-13(16)6-7-14(12)18-8-5-9-19-4/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyZBAMYHBMFMYADX-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.85
Rot. Bonds7

About N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107696513) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107696513
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC NameN-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCSCCCOc1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C15H24FNOS/c1-15(2,3)17-11-12-10-13(16)6-7-14(12)18-8-5-9-19-4/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyZBAMYHBMFMYADX-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.85
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-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
2-methyl-N-[[5-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]propan-2-amine
CID 113473409
N-[[5-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696673
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
N-[[2-(3-ethylsulfanylpropoxy)-5-fluorophenyl]methyl]-2-methoxyethanamine
CID 107696885
N-[[5-fluoro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696647
N-[[5-fluoro-2-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552758
4-(2-bromo-4-fluorophenoxy)-N-tert-butylbutan-1-amine
CID 62450936

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 107696513) is N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine is CSCCCOc1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZBAMYHBMFMYADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-15(2,3)17-11-12-10-13(16)6-7-14(12)18-8-5-9-19-4/h6-7,10,17H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-methylsulfanylpropoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107696513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).