N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine

C17H26FNO2 — CID 107695869

IUPACN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C17H26FNO2/c1-4-9-19-11-13-10-14(18)5-6-16(13)20-12-15-7-8-17(2,3)21-15/h5-6,10,15,19H,4,7-9,11-12H2,1-3H3
InChIKeyHJJRAYXZTMNOFP-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.66
Rot. Bonds7

About N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine

N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 107695869) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
PubChem CID107695869
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C17H26FNO2/c1-4-9-19-11-13-10-14(18)5-6-16(13)20-12-15-7-8-17(2,3)21-15/h5-6,10,15,19H,4,7-9,11-12H2,1-3H3
InChIKeyHJJRAYXZTMNOFP-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.66
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-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 116520729
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
N-[[4-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 116520720
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
CID 116520860
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
CID 116522368
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686630
N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 107695883
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
5-[(3-fluorophenoxy)methyl]-2,2-dimethyloxolane
CID 116524396
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine (CID 107695869) is N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OCC1CCC(C)(C)O1.
What is the InChIKey of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is HJJRAYXZTMNOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-9-19-11-13-10-14(18)5-6-16(13)20-12-15-7-8-17(2,3)21-15/h5-6,10,15,19H,4,7-9,11-12H2,1-3H3.
What are the key properties of N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 295.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).