4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline

C17H21FN2O — CID 62434817

IUPAC4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
SMILESCNCc1ccccc1OCCN(C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-19-13-14-5-3-4-6-17(14)21-12-11-20(2)16-9-7-15(18)8-10-16/h3-10,19H,11-13H2,1-2H3
InChIKeyMDAFBKIDFMMICL-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.06
Rot. Bonds7

About 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline

4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline (PubChem CID 62434817) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
PubChem CID62434817
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline
SMILESCNCc1ccccc1OCCN(C)c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-19-13-14-5-3-4-6-17(14)21-12-11-20(2)16-9-7-15(18)8-10-16/h3-10,19H,11-13H2,1-2H3
InChIKeyMDAFBKIDFMMICL-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 18525858
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
N-(cyclopropylmethyl)-N-methyl-2-[2-(methylaminomethyl)phenoxy]ethanamine
CID 55074002
1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62485918
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253
N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]oxolan-3-amine
CID 82754077
1-[2-[2-(2-bromophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62450311
2-[2-(N,4-dimethylanilino)ethoxy]aniline
CID 55134719
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111229086
1-[5-fluoro-2-(4-phenylbutoxy)phenyl]-N-methylmethanamine
CID 107695266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline (CID 62434817) is 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline is CNCc1ccccc1OCCN(C)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline?
The InChIKey is MDAFBKIDFMMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-19-13-14-5-3-4-6-17(14)21-12-11-20(2)16-9-7-15(18)8-10-16/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline?
4-fluoro-N-methyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline has a molecular weight of 288.37 g/mol, XLogP of 3.06, 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-[2-[2-(methylaminomethyl)phenoxy]ethyl]aniline is sourced from PubChem (CID 62434817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).