3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline

C21H23N3 — CID 134132646

IUPAC3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESCc1cccc(NCc2ccc(CNc3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H23N3/c1-16-5-3-7-19(11-16)22-13-18-9-10-21(23-14-18)15-24-20-8-4-6-17(2)12-20/h3-12,14,22,24H,13,15H2,1-2H3
InChIKeyMBBAZAQQWAOGBF-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.92
Rot. Bonds6

About 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline

3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline (PubChem CID 134132646) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
PubChem CID134132646
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline
SMILESCc1cccc(NCc2ccc(CNc3cccc(C)c3)nc2)c1
InChIInChI=1S/C21H23N3/c1-16-5-3-7-19(11-16)22-13-18-9-10-21(23-14-18)15-24-20-8-4-6-17(2)12-20/h3-12,14,22,24H,13,15H2,1-2H3
InChIKeyMBBAZAQQWAOGBF-UHFFFAOYSA-N
XLogP4.92
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline?
The IUPAC name of 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline (CID 134132646) is 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline.
What is the SMILES notation for 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline?
The canonical SMILES for 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline is Cc1cccc(NCc2ccc(CNc3cccc(C)c3)nc2)c1.
What is the InChIKey of 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline?
The InChIKey is MBBAZAQQWAOGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-5-3-7-19(11-16)22-13-18-9-10-21(23-14-18)15-24-20-8-4-6-17(2)12-20/h3-12,14,22,24H,13,15H2,1-2H3.
What are the key properties of 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline?
3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline has a molecular weight of 317.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[6-[(3-methylanilino)methyl]-3-pyridinyl]methyl]aniline is sourced from PubChem (CID 134132646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).