N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline

C17H21FN2 — CID 62122777

IUPACN-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
SMILESCCN(c1cccc(F)c1)c1ccc(CNC)cc1C
InChIInChI=1S/C17H21FN2/c1-4-20(16-7-5-6-15(18)11-16)17-9-8-14(12-19-3)10-13(17)2/h5-11,19H,4,12H2,1-3H3
InChIKeyOHCARLHHZQTNJF-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.01
Rot. Bonds5

About N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline

N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline (PubChem CID 62122777) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
PubChem CID62122777
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline
SMILESCCN(c1cccc(F)c1)c1ccc(CNC)cc1C
InChIInChI=1S/C17H21FN2/c1-4-20(16-7-5-6-15(18)11-16)17-9-8-14(12-19-3)10-13(17)2/h5-11,19H,4,12H2,1-3H3
InChIKeyOHCARLHHZQTNJF-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-ethyl-3-fluoroaniline
CID 102770073
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
2-[4-(N-ethyl-3-methylanilino)-3-methylphenyl]ethanol
CID 95473071
N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
CID 80637668
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
3-fluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 62019120
N-butan-2-yl-N-ethyl-2-methyl-4-(methylaminomethyl)aniline
CID 62121532
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline (CID 62122777) is N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline is CCN(c1cccc(F)c1)c1ccc(CNC)cc1C.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline?
The InChIKey is OHCARLHHZQTNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-4-20(16-7-5-6-15(18)11-16)17-9-8-14(12-19-3)10-13(17)2/h5-11,19H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline?
N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline has a molecular weight of 272.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-2-methyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 62122777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).