N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline

C23H26N2 — CID 132518456

IUPACN,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline
SMILESCc1ccc(C(Cc2ccccn2)CN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C23H26N2/c1-18-10-12-20(13-11-18)21(16-22-8-4-5-14-24-22)17-25(3)23-9-6-7-19(2)15-23/h4-15,21H,16-17H2,1-3H3
InChIKeyFEHONDJSESEBKF-UHFFFAOYSA-N
MW330.48 g/mol
LogP5.16
Rot. Bonds6

About N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline

N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline (PubChem CID 132518456) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline
PubChem CID132518456
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline
SMILESCc1ccc(C(Cc2ccccn2)CN(C)c2cccc(C)c2)cc1
InChIInChI=1S/C23H26N2/c1-18-10-12-20(13-11-18)21(16-22-8-4-5-14-24-22)17-25(3)23-9-6-7-19(2)15-23/h4-15,21H,16-17H2,1-3H3
InChIKeyFEHONDJSESEBKF-UHFFFAOYSA-N
XLogP5.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline?
The IUPAC name of N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline (CID 132518456) is N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline is Cc1ccc(C(Cc2ccccn2)CN(C)c2cccc(C)c2)cc1.
What is the InChIKey of N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline?
The InChIKey is FEHONDJSESEBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-18-10-12-20(13-11-18)21(16-22-8-4-5-14-24-22)17-25(3)23-9-6-7-19(2)15-23/h4-15,21H,16-17H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline?
N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline has a molecular weight of 330.48 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[2-(4-methylphenyl)-3-pyridin-2-ylpropyl]aniline is sourced from PubChem (CID 132518456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).