1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine

C16H20FN3 — CID 107454369

IUPAC1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(CN(C)Cc2ccncc2)c1
InChIInChI=1S/C16H20FN3/c1-18-10-14-3-4-16(17)15(9-14)12-20(2)11-13-5-7-19-8-6-13/h3-9,18H,10-12H2,1-2H3
InChIKeyVVKLHLNHVSUSPX-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.57
Rot. Bonds6

About 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine

1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine (PubChem CID 107454369) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
PubChem CID107454369
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(CN(C)Cc2ccncc2)c1
InChIInChI=1S/C16H20FN3/c1-18-10-14-3-4-16(17)15(9-14)12-20(2)11-13-5-7-19-8-6-13/h3-9,18H,10-12H2,1-2H3
InChIKeyVVKLHLNHVSUSPX-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 107454398
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
1-[4-fluoro-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 107455085
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
N-methyl-1-[3-methyl-4-(pyridin-4-ylmethyl)phenyl]methanamine
CID 66481440
1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 102769753
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine (CID 107454369) is 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine is CNCc1ccc(F)c(CN(C)Cc2ccncc2)c1.
What is the InChIKey of 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is VVKLHLNHVSUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-18-10-14-3-4-16(17)15(9-14)12-20(2)11-13-5-7-19-8-6-13/h3-9,18H,10-12H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine?
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 273.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 107454369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).