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

C14H21FN2O — CID 62436939

IUPAC4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCNCC1CCC(CN(C)c2ccc(F)cc2)O1
InChIInChI=1S/C14H21FN2O/c1-16-9-13-7-8-14(18-13)10-17(2)12-5-3-11(15)4-6-12/h3-6,13-14,16H,7-10H2,1-2H3
InChIKeyCQNPIVSNXYQMKN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.03
Rot. Bonds5

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

4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (PubChem CID 62436939) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
PubChem CID62436939
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
SMILESCNCC1CCC(CN(C)c2ccc(F)cc2)O1
InChIInChI=1S/C14H21FN2O/c1-16-9-13-7-8-14(18-13)10-17(2)12-5-3-11(15)4-6-12/h3-6,13-14,16H,7-10H2,1-2H3
InChIKeyCQNPIVSNXYQMKN-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62437113
4-ethyl-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62435116
N-ethyl-3-fluoro-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55074213
1-[5-[(dimethylamino)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62419753
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-(aminomethyl)oxolan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62462333
N-ethyl-3-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 55073617
N-methyl-1-[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-2-yl]methanamine
CID 62422461
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62462715
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
N-[[5-[(cyclopropylamino)methyl]oxolan-2-yl]methyl]-2-fluoro-N-methylaniline
CID 62434907

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline (CID 62436939) is 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline is CNCC1CCC(CN(C)c2ccc(F)cc2)O1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
The InChIKey is CQNPIVSNXYQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16-9-13-7-8-14(18-13)10-17(2)12-5-3-11(15)4-6-12/h3-6,13-14,16H,7-10H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline has a molecular weight of 252.33 g/mol, XLogP of 2.03, 5 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-(methylaminomethyl)oxolan-2-yl]methyl]aniline is sourced from PubChem (CID 62436939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).