N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine

C16H26FNO — CID 107695953

IUPACN-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCC(C)CCC
InChIInChI=1S/C16H26FNO/c1-4-6-13(3)12-19-16-8-7-15(17)10-14(16)11-18-9-5-2/h7-8,10,13,18H,4-6,9,11-12H2,1-3H3
InChIKeyOFOSUZRNSOMVGK-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.14
Rot. Bonds9

About N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine

N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine (PubChem CID 107695953) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
PubChem CID107695953
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCC(C)CCC
InChIInChI=1S/C16H26FNO/c1-4-6-13(3)12-19-16-8-7-15(17)10-14(16)11-18-9-5-2/h7-8,10,13,18H,4-6,9,11-12H2,1-3H3
InChIKeyOFOSUZRNSOMVGK-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.14
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

N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 107695779
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
N-[[3-chloro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 55193837
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
N-[[2-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 43314214

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine (CID 107695953) is N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OCC(C)CCC.
What is the InChIKey of N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
The InChIKey is OFOSUZRNSOMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-6-13(3)12-19-16-8-7-15(17)10-14(16)11-18-9-5-2/h7-8,10,13,18H,4-6,9,11-12H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine?
N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(2-methylpentoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).