4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline

C21H23N3 — CID 21130318

IUPAC4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCc1ccc(NCc2cccc(CNc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H23N3/c1-16-6-10-18(11-7-16)22-14-20-4-3-5-21(24-20)15-23-19-12-8-17(2)9-13-19/h3-13,22-23H,14-15H2,1-2H3
InChIKeyBTCSMKYKNJQTRX-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.92
Rot. Bonds6

About 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline

4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 21130318) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID21130318
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCc1ccc(NCc2cccc(CNc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H23N3/c1-16-6-10-18(11-7-16)22-14-20-4-3-5-21(24-20)15-23-19-12-8-17(2)9-13-19/h3-13,22-23H,14-15H2,1-2H3
InChIKeyBTCSMKYKNJQTRX-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 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline (CID 21130318) is 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline is Cc1ccc(NCc2cccc(CNc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is BTCSMKYKNJQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-6-10-18(11-7-16)22-14-20-4-3-5-21(24-20)15-23-19-12-8-17(2)9-13-19/h3-13,22-23H,14-15H2,1-2H3.
What are the key properties of 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline?
4-methyl-N-[[6-[(4-methylanilino)methyl]-2-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 4-methyl-N-[[6-[(4-methylanilino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 21130318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).