N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

C17H23N3 — CID 62432557

IUPACN-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)Cc1ccncc1
InChIInChI=1S/C17H23N3/c1-3-18-12-16-6-4-5-7-17(16)14-20(2)13-15-8-10-19-11-9-15/h4-11,18H,3,12-14H2,1-2H3
InChIKeyGNUOZGDSWLNDEF-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.82
Rot. Bonds7

About N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62432557) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62432557
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CN(C)Cc1ccncc1
InChIInChI=1S/C17H23N3/c1-3-18-12-16-6-4-5-7-17(16)14-20(2)13-15-8-10-19-11-9-15/h4-11,18H,3,12-14H2,1-2H3
InChIKeyGNUOZGDSWLNDEF-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
N-[[2-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]methyl]ethanamine
CID 62435559
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62434151
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
2-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzoic acid
CID 107119366
2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
5-chloro-2-(ethylaminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848350

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (CID 62432557) is N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1ccccc1CN(C)Cc1ccncc1.
What is the InChIKey of N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is GNUOZGDSWLNDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-18-12-16-6-4-5-7-17(16)14-20(2)13-15-8-10-19-11-9-15/h4-11,18H,3,12-14H2,1-2H3.
What are the key properties of N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62432557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).