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

C17H23N3 — CID 62434387

IUPACN-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2ccncc2)cc1
InChIInChI=1S/C17H23N3/c1-3-18-12-15-4-6-16(7-5-15)13-20(2)14-17-8-10-19-11-9-17/h4-11,18H,3,12-14H2,1-2H3
InChIKeyWLUFUZHNFDVOJS-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.82
Rot. Bonds7

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

N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62434387) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62434387
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2ccncc2)cc1
InChIInChI=1S/C17H23N3/c1-3-18-12-15-4-6-16(7-5-15)13-20(2)14-17-8-10-19-11-9-17/h4-11,18H,3,12-14H2,1-2H3
InChIKeyWLUFUZHNFDVOJS-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]propan-1-amine
CID 62431655
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
N-[[2-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432557
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-[[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 62422093
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
2-N,2-N-dimethyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61044403
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
cycloheptanamine;cyclopentanamine;N-(pyridin-4-ylmethyl)ethanamine
CID 70106759
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (CID 62434387) is N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN(C)Cc2ccncc2)cc1.
What is the InChIKey of N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is WLUFUZHNFDVOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-18-12-15-4-6-16(7-5-15)13-20(2)14-17-8-10-19-11-9-17/h4-11,18H,3,12-14H2,1-2H3.
What are the key properties of N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[4-[[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-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).