4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline

C16H25FN2O — CID 62437113

IUPAC4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCCNCC1CCC(CN(C)c2ccc(F)cc2)O1
InChIInChI=1S/C16H25FN2O/c1-3-10-18-11-15-8-9-16(20-15)12-19(2)14-6-4-13(17)5-7-14/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyZHZZMHVMFREYLH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.81
Rot. Bonds7

About 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline

4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 62437113) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID62437113
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCCCNCC1CCC(CN(C)c2ccc(F)cc2)O1
InChIInChI=1S/C16H25FN2O/c1-3-10-18-11-15-8-9-16(20-15)12-19(2)14-6-4-13(17)5-7-14/h4-7,15-16,18H,3,8-12H2,1-2H3
InChIKeyZHZZMHVMFREYLH-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.81
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

4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62436939
4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62435116
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-methyl-N-[[5-[(propan-2-ylamino)methyl]oxolan-2-yl]methyl]aniline
CID 55070066
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylaniline
CID 62440143
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
N-[[5-[[benzyl(ethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62419666
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N,2-dimethylaniline
CID 55072223
N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63234318
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline (CID 62437113) is 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline is CCCNCC1CCC(CN(C)c2ccc(F)cc2)O1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is ZHZZMHVMFREYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-10-18-11-15-8-9-16(20-15)12-19(2)14-6-4-13(17)5-7-14/h4-7,15-16,18H,3,8-12H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 280.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 62437113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).