N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline

C23H27N3 — CID 78894850

IUPACN-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
SMILESCCN(Cc1ccccc1)c1ccc(CNCc2cccc(C)n2)cc1
InChIInChI=1S/C23H27N3/c1-3-26(18-21-9-5-4-6-10-21)23-14-12-20(13-15-23)16-24-17-22-11-7-8-19(2)25-22/h4-15,24H,3,16-18H2,1-2H3
InChIKeyDJSSGGJWRREXQP-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.71
Rot. Bonds8

About N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline

N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline (PubChem CID 78894850) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
PubChem CID78894850
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC NameN-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline
SMILESCCN(Cc1ccccc1)c1ccc(CNCc2cccc(C)n2)cc1
InChIInChI=1S/C23H27N3/c1-3-26(18-21-9-5-4-6-10-21)23-14-12-20(13-15-23)16-24-17-22-11-7-8-19(2)25-22/h4-15,24H,3,16-18H2,1-2H3
InChIKeyDJSSGGJWRREXQP-UHFFFAOYSA-N
XLogP4.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N,N-diethyl-4-[(pyridin-2-ylmethylamino)methyl]aniline
CID 834543
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962438
N,N-diethyl-4-[[(2-methylpyrimidin-4-yl)methylamino]methyl]aniline
CID 60960957
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
N-[(6-methyl-2-pyridinyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 78895283
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline?
The IUPAC name of N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline (CID 78894850) is N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline.
What is the SMILES notation for N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline?
The canonical SMILES for N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline is CCN(Cc1ccccc1)c1ccc(CNCc2cccc(C)n2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline?
The InChIKey is DJSSGGJWRREXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-3-26(18-21-9-5-4-6-10-21)23-14-12-20(13-15-23)16-24-17-22-11-7-8-19(2)25-22/h4-15,24H,3,16-18H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline?
N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline has a molecular weight of 345.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-[[(6-methyl-2-pyridinyl)methylamino]methyl]aniline is sourced from PubChem (CID 78894850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).