N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine

C26H32N2 — CID 66993843

IUPACN-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCCc1cccc(CC)c1-c1cc(C)c(CN(C)Cc2ccccc2)c(C)n1
InChIInChI=1S/C26H32N2/c1-6-22-14-11-15-23(7-2)26(22)25-16-19(3)24(20(4)27-25)18-28(5)17-21-12-9-8-10-13-21/h8-16H,6-7,17-18H2,1-5H3
InChIKeyYFUNGKACZQDHSA-UHFFFAOYSA-N
MW372.56 g/mol
LogP6.12
Rot. Bonds7

About N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine

N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine (PubChem CID 66993843) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
PubChem CID66993843
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine
SMILESCCc1cccc(CC)c1-c1cc(C)c(CN(C)Cc2ccccc2)c(C)n1
InChIInChI=1S/C26H32N2/c1-6-22-14-11-15-23(7-2)26(22)25-16-19(3)24(20(4)27-25)18-28(5)17-21-12-9-8-10-13-21/h8-16H,6-7,17-18H2,1-5H3
InChIKeyYFUNGKACZQDHSA-UHFFFAOYSA-N
XLogP6.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine (CID 66993843) is N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine is CCc1cccc(CC)c1-c1cc(C)c(CN(C)Cc2ccccc2)c(C)n1.
What is the InChIKey of N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine?
The InChIKey is YFUNGKACZQDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-6-22-14-11-15-23(7-2)26(22)25-16-19(3)24(20(4)27-25)18-28(5)17-21-12-9-8-10-13-21/h8-16H,6-7,17-18H2,1-5H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine?
N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 372.56 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-diethylphenyl)-2,4-dimethyl-3-pyridinyl]methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 66993843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).