N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

C17H23N3 — CID 62432377

IUPACN-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(C)Cc2ccncc2)c1
InChIInChI=1S/C17H23N3/c1-3-18-12-16-5-4-6-17(11-16)14-20(2)13-15-7-9-19-10-8-15/h4-11,18H,3,12-14H2,1-2H3
InChIKeyVASXAXVSYAUWKC-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.82
Rot. Bonds7

About N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62432377) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62432377
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(C)Cc2ccncc2)c1
InChIInChI=1S/C17H23N3/c1-3-18-12-16-5-4-6-17(11-16)14-20(2)13-15-7-9-19-10-8-15/h4-11,18H,3,12-14H2,1-2H3
InChIKeyVASXAXVSYAUWKC-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

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Related Compounds

N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62434387
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62421924
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (CID 62432377) is N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN(C)Cc2ccncc2)c1.
What is the InChIKey of N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is VASXAXVSYAUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-18-12-16-5-4-6-17(11-16)14-20(2)13-15-7-9-19-10-8-15/h4-11,18H,3,12-14H2,1-2H3.
What are the key properties of N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[3-[[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-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62432377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).