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

C15H21FN4 — CID 61442079

IUPAC2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2cnn(C)c2)c(F)c1
InChIInChI=1S/C15H21FN4/c1-11(17-2)13-5-6-15(14(16)7-13)19(3)9-12-8-18-20(4)10-12/h5-8,10-11,17H,9H2,1-4H3
InChIKeyLILIBXSHMTXPKH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.48
Rot. Bonds5

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

2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline (PubChem CID 61442079) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
PubChem CID61442079
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2cnn(C)c2)c(F)c1
InChIInChI=1S/C15H21FN4/c1-11(17-2)13-5-6-15(14(16)7-13)19(3)9-12-8-18-20(4)10-12/h5-8,10-11,17H,9H2,1-4H3
InChIKeyLILIBXSHMTXPKH-UHFFFAOYSA-N
XLogP2.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-2-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442129
4-(aminomethyl)-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61438186
1-(4-chloro-3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 82994452
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 61411745
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
N-[(2-chlorophenyl)methyl]-2-fluoro-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 61417200
2-(2-aminopropyl)-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 63815488
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
CID 55183379
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylcyclopropyl)methyl]aniline
CID 63864988
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
5-fluoro-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzoic acid
CID 61442384

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline (CID 61442079) is 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline is CNC(C)c1ccc(N(C)Cc2cnn(C)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline?
The InChIKey is LILIBXSHMTXPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-11(17-2)13-5-6-15(14(16)7-13)19(3)9-12-8-18-20(4)10-12/h5-8,10-11,17H,9H2,1-4H3.
What are the key properties of 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline?
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline has a molecular weight of 276.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 61442079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).