N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine

C21H23N3 — CID 12048721

IUPACN,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1cccc(CN(Cc2ccccc2)Cc2cccc(C)n2)n1
InChIInChI=1S/C21H23N3/c1-17-8-6-12-20(22-17)15-24(14-19-10-4-3-5-11-19)16-21-13-7-9-18(2)23-21/h3-13H,14-16H2,1-2H3
InChIKeyQQPOYONVEMZUST-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.30
Rot. Bonds6

About N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine

N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine (PubChem CID 12048721) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
PubChem CID12048721
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
SMILESCc1cccc(CN(Cc2ccccc2)Cc2cccc(C)n2)n1
InChIInChI=1S/C21H23N3/c1-17-8-6-12-20(22-17)15-24(14-19-10-4-3-5-11-19)16-21-13-7-9-18(2)23-21/h3-13H,14-16H2,1-2H3
InChIKeyQQPOYONVEMZUST-UHFFFAOYSA-N
XLogP4.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine (CID 12048721) is N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The canonical SMILES for N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine is Cc1cccc(CN(Cc2ccccc2)Cc2cccc(C)n2)n1.
What is the InChIKey of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
The InChIKey is QQPOYONVEMZUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-17-8-6-12-20(22-17)15-24(14-19-10-4-3-5-11-19)16-21-13-7-9-18(2)23-21/h3-13H,14-16H2,1-2H3.
What are the key properties of N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine?
N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine has a molecular weight of 317.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(6-methyl-2-pyridinyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 12048721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).