N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine

C29H38N2O — CID 66993952

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(CC)Cc2ccccc2)c(C)n1
InChIInChI=1S/C29H38N2O/c1-7-24-16-13-17-25(8-2)29(24)27-18-28(32-21(4)5)26(22(6)30-27)20-31(9-3)19-23-14-11-10-12-15-23/h10-18,21H,7-9,19-20H2,1-6H3
InChIKeyRDEABFHJFOZYSE-UHFFFAOYSA-N
MW430.64 g/mol
LogP6.99
Rot. Bonds10

About N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine

N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine (PubChem CID 66993952) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
PubChem CID66993952
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC NameN-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(CC)Cc2ccccc2)c(C)n1
InChIInChI=1S/C29H38N2O/c1-7-24-16-13-17-25(8-2)29(24)27-18-28(32-21(4)5)26(22(6)30-27)20-31(9-3)19-23-14-11-10-12-15-23/h10-18,21H,7-9,19-20H2,1-6H3
InChIKeyRDEABFHJFOZYSE-UHFFFAOYSA-N
XLogP6.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
CID 66994944
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine
CID 66993888
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine
CID 66995144
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
CID 66994684
6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
CID 66995168
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66994430
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine
CID 66993822
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-3-amine
CID 66994563
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 66993616
6-(2,6-diethylphenyl)-3-[(3,5-dimethylphenoxy)methyl]-2-methyl-4-propan-2-yloxypyridine
CID 66994470
3-[(2,6-dichlorophenoxy)methyl]-6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxypyridine
CID 66994471
6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(4-propoxyphenoxy)methyl]pyridine
CID 66995131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine (CID 66993952) is N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(CC)Cc2ccccc2)c(C)n1.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine?
The InChIKey is RDEABFHJFOZYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-7-24-16-13-17-25(8-2)29(24)27-18-28(32-21(4)5)26(22(6)30-27)20-31(9-3)19-23-14-11-10-12-15-23/h10-18,21H,7-9,19-20H2,1-6H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine has a molecular weight of 430.64 g/mol, XLogP of 6.99, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 66993952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).