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

C17H21FN2 — CID 61411466

IUPAC4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
SMILESCNCc1cc(F)ccc1N(C)Cc1ccccc1C
InChIInChI=1S/C17H21FN2/c1-13-6-4-5-7-14(13)12-20(3)17-9-8-16(18)10-15(17)11-19-2/h4-10,19H,11-12H2,1-3H3
InChIKeyHHIOZNAITAPCEL-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.49
Rot. Bonds5

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

4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline (PubChem CID 61411466) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
PubChem CID61411466
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
SMILESCNCc1cc(F)ccc1N(C)Cc1ccccc1C
InChIInChI=1S/C17H21FN2/c1-13-6-4-5-7-14(13)12-20(3)17-9-8-16(18)10-15(17)11-19-2/h4-10,19H,11-12H2,1-3H3
InChIKeyHHIOZNAITAPCEL-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411746
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 54984895
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 61416913
N-benzyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313735
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-4-fluoro-N-methylaniline
CID 61416296
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline (CID 61411466) is 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline is CNCc1cc(F)ccc1N(C)Cc1ccccc1C.
What is the InChIKey of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is HHIOZNAITAPCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13-6-4-5-7-14(13)12-20(3)17-9-8-16(18)10-15(17)11-19-2/h4-10,19H,11-12H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline?
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 3.49, 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-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 61411466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).