2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline

C13H21FN2 — CID 43284213

IUPAC2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
SMILESCNC(C)c1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C13H21FN2/c1-9(2)16(5)13-7-6-11(8-12(13)14)10(3)15-4/h6-10,15H,1-5H3
InChIKeyNWMUPCFYVYAJKB-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.95
Rot. Bonds4

About 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline (PubChem CID 43284213) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
PubChem CID43284213
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
SMILESCNC(C)c1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C13H21FN2/c1-9(2)16(5)13-7-6-11(8-12(13)14)10(3)15-4/h6-10,15H,1-5H3
InChIKeyNWMUPCFYVYAJKB-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112660633
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
2-fluoro-4-[(1R)-1-(methylamino)ethyl]phenol
CID 29038942
2-[N-cyclobutyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863575
N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 61417200
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351
1-[N-ethyl-2-fluoro-4-[1-(methylamino)ethyl]anilino]-2-methylpropan-2-ol
CID 79387948
2-chloro-N-(2-fluorophenyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910475
1-(3-fluoro-4-propan-2-ylsulfanylphenyl)-N-methylethanamine
CID 60884307
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442079
1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline (CID 43284213) is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The canonical SMILES for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline is CNC(C)c1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
The InChIKey is NWMUPCFYVYAJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-9(2)16(5)13-7-6-11(8-12(13)14)10(3)15-4/h6-10,15H,1-5H3.
What are the key properties of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline?
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline has a molecular weight of 224.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline is sourced from PubChem (CID 43284213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).