N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline

C23H26N2 — CID 154714167

IUPACN-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline
SMILESCN(CC(CCc1ccccc1)Cc1ccccn1)c1ccccc1
InChIInChI=1S/C23H26N2/c1-25(23-13-6-3-7-14-23)19-21(18-22-12-8-9-17-24-22)16-15-20-10-4-2-5-11-20/h2-14,17,21H,15-16,18-19H2,1H3
InChIKeyASOLOASZTXRNHF-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.01
Rot. Bonds8

About N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline

N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline (PubChem CID 154714167) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline
PubChem CID154714167
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline
SMILESCN(CC(CCc1ccccc1)Cc1ccccn1)c1ccccc1
InChIInChI=1S/C23H26N2/c1-25(23-13-6-3-7-14-23)19-21(18-22-12-8-9-17-24-22)16-15-20-10-4-2-5-11-20/h2-14,17,21H,15-16,18-19H2,1H3
InChIKeyASOLOASZTXRNHF-UHFFFAOYSA-N
XLogP5.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline
CID 132518456
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
4-(2-aminopropyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786816
2-(7-phenylheptyl)pyridine
CID 54510986
4-(3-methylphenyl)-1-pyridin-2-ylbutan-2-amine
CID 62367106
2-(4-methyl-2-propylpentyl)pyridine
CID 57227935
(1-pyridin-2-yl-4-pyridin-4-ylbutan-2-yl)hydrazine
CID 105315390
2-methyl-6-[6-[2-[[6-(6-methyl-2-pyridinyl)-2-pyridinyl]methyl]-4-phenylbutyl]-2-pyridinyl]pyridine
CID 71277472
2-benzylsulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 71426765

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline?
The IUPAC name of N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline (CID 154714167) is N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline.
What is the SMILES notation for N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline?
The canonical SMILES for N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline is CN(CC(CCc1ccccc1)Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline?
The InChIKey is ASOLOASZTXRNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-25(23-13-6-3-7-14-23)19-21(18-22-12-8-9-17-24-22)16-15-20-10-4-2-5-11-20/h2-14,17,21H,15-16,18-19H2,1H3.
What are the key properties of N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline?
N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline has a molecular weight of 330.48 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-phenyl-2-(pyridin-2-ylmethyl)butyl]aniline is sourced from PubChem (CID 154714167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).