4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline

C14H23FN2O2 — CID 61418968

IUPAC4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCNCc1cc(F)ccc1N(CCOC)CCOC
InChIInChI=1S/C14H23FN2O2/c1-16-11-12-10-13(15)4-5-14(12)17(6-8-18-2)7-9-19-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyLXROSGYYHQVPFR-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.64
Rot. Bonds9

About 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline

4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline (PubChem CID 61418968) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
PubChem CID61418968
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
SMILESCNCc1cc(F)ccc1N(CCOC)CCOC
InChIInChI=1S/C14H23FN2O2/c1-16-11-12-10-13(15)4-5-14(12)17(6-8-18-2)7-9-19-3/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyLXROSGYYHQVPFR-UHFFFAOYSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
N-ethyl-4-fluoro-N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63059193
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
2-(ethylaminomethyl)-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82961156
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
N,N-bis(2-methoxyethyl)-3-methyl-4-(methylaminomethyl)aniline
CID 55039064
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
(1R)-1-[2-[bis(2-methoxyethyl)amino]-5-fluorophenyl]ethanol
CID 78940044
2-[1-(ethylamino)ethyl]-4-fluoro-N,N-bis(2-methoxyethyl)aniline
CID 61418293
2-[5-bromo-N-(2-methoxyethyl)-2-(methylaminomethyl)anilino]ethanol
CID 113467895
5-bromo-N-ethyl-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54949226

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The IUPAC name of 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline (CID 61418968) is 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline.
What is the SMILES notation for 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The canonical SMILES for 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline is CNCc1cc(F)ccc1N(CCOC)CCOC.
What is the InChIKey of 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
The InChIKey is LXROSGYYHQVPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-16-11-12-10-13(15)4-5-14(12)17(6-8-18-2)7-9-19-3/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline?
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline has a molecular weight of 270.35 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline is sourced from PubChem (CID 61418968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).