4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline

C18H23FN2 — CID 61411746

IUPAC4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
SMILESCNC(C)c1cc(F)ccc1N(C)Cc1ccccc1C
InChIInChI=1S/C18H23FN2/c1-13-7-5-6-8-15(13)12-21(4)18-10-9-16(19)11-17(18)14(2)20-3/h5-11,14,20H,12H2,1-4H3
InChIKeyGSAVPIQKADPVEA-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.05
Rot. Bonds5

About 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline

4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline (PubChem CID 61411746) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
PubChem CID61411746
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
SMILESCNC(C)c1cc(F)ccc1N(C)Cc1ccccc1C
InChIInChI=1S/C18H23FN2/c1-13-7-5-6-8-15(13)12-21(4)18-10-9-16(19)11-17(18)14(2)20-3/h5-11,14,20H,12H2,1-4H3
InChIKeyGSAVPIQKADPVEA-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 61413072
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 63532074
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442129
2-[(1S)-1-aminoethyl]-N-[(2-chlorophenyl)methyl]-4-fluoro-N-methylaniline
CID 78934499
5-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 82954421
1-(2-chloro-5-fluorophenyl)-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 105396940
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 61417200
2-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62909903
N-(1-cyclopropylethyl)-4-fluoro-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 43569234

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline (CID 61411746) is 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline is CNC(C)c1cc(F)ccc1N(C)Cc1ccccc1C.
What is the InChIKey of 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is GSAVPIQKADPVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13-7-5-6-8-15(13)12-21(4)18-10-9-16(19)11-17(18)14(2)20-3/h5-11,14,20H,12H2,1-4H3.
What are the key properties of 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline?
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 286.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 61411746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).