N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine

C15H18FN3 — CID 105388812

IUPACN-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccnc(N(C)Cc2ccccc2)c1F
InChIInChI=1S/C15H18FN3/c1-17-10-13-8-9-18-15(14(13)16)19(2)11-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3
InChIKeyTZFMZRPGFPPIIJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.58
Rot. Bonds5

About N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine

N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 105388812) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID105388812
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1ccnc(N(C)Cc2ccccc2)c1F
InChIInChI=1S/C15H18FN3/c1-17-10-13-8-9-18-15(14(13)16)19(2)11-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3
InChIKeyTZFMZRPGFPPIIJ-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 105389303
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 105389144
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105417520
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105389511
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389702
[3-fluoro-2-[methyl(2-phenylethyl)amino]-4-pyridinyl]methanol
CID 105383104
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62294438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine (CID 105388812) is N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine is CNCc1ccnc(N(C)Cc2ccccc2)c1F.
What is the InChIKey of N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is TZFMZRPGFPPIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-17-10-13-8-9-18-15(14(13)16)19(2)11-12-6-4-3-5-7-12/h3-9,17H,10-11H2,1-2H3.
What are the key properties of N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 259.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105388812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).