4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline

C15H23FN2O — CID 63713648

IUPAC4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
SMILESCNCc1cc(F)ccc1N(C)CC1CCCOC1
InChIInChI=1S/C15H23FN2O/c1-17-9-13-8-14(16)5-6-15(13)18(2)10-12-4-3-7-19-11-12/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3
InChIKeyZHYFQXLYTODVER-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds5

About 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline

4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline (PubChem CID 63713648) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
PubChem CID63713648
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
SMILESCNCc1cc(F)ccc1N(C)CC1CCCOC1
InChIInChI=1S/C15H23FN2O/c1-17-9-13-8-14(16)5-6-15(13)18(2)10-12-4-3-7-19-11-12/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3
InChIKeyZHYFQXLYTODVER-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
4-fluoro-2-N-methyl-2-N-(oxan-3-ylmethyl)benzene-1,2-diamine
CID 63726969
5-chloro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 114851430
2-[1-(ethylamino)ethyl]-4-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63711528
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
5-chloro-2-[methyl(oxan-3-ylmethyl)amino]benzonitrile
CID 55226842
2-fluoro-N-methyl-N-(oxan-3-ylmethyl)-4-(propylaminomethyl)aniline
CID 63713646
2-[(tert-butylamino)methyl]-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 63713314
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)aniline
CID 107532389
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-(oxan-3-yl)methanamine
CID 63706482
3-fluoro-4-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 63711698

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline (CID 63713648) is 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline is CNCc1cc(F)ccc1N(C)CC1CCCOC1.
What is the InChIKey of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
The InChIKey is ZHYFQXLYTODVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-9-13-8-14(16)5-6-15(13)18(2)10-12-4-3-7-19-11-12/h5-6,8,12,17H,3-4,7,9-11H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline?
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline has a molecular weight of 266.36 g/mol, XLogP of 2.41, 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-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline is sourced from PubChem (CID 63713648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).