N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine

C30H40N2O — CID 90827308

IUPACN-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCc1c(OC)cc(-c2c(CC)cccc2CC)nc1C)c1ccccc1
InChIInChI=1S/C30H40N2O/c1-6-9-11-19-27(25-15-12-10-13-16-25)31-21-26-22(4)32-28(20-29(26)33-5)30-23(7-2)17-14-18-24(30)8-3/h10,12-18,20,27,31H,6-9,11,19,21H2,1-5H3
InChIKeyPSPKADVPFQNSAN-UHFFFAOYSA-N
MW444.66 g/mol
LogP7.60
Rot. Bonds12

About N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine

N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine (PubChem CID 90827308) has the molecular formula C30H40N2O and a molecular weight of 444.66 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine
PubChem CID90827308
Molecular FormulaC30H40N2O
Molecular Weight444.66 g/mol
Exact Mass444.31
IUPAC NameN-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine
SMILESCCCCCC(NCc1c(OC)cc(-c2c(CC)cccc2CC)nc1C)c1ccccc1
InChIInChI=1S/C30H40N2O/c1-6-9-11-19-27(25-15-12-10-13-16-25)31-21-26-22(4)32-28(20-29(26)33-5)30-23(7-2)17-14-18-24(30)8-3/h10,12-18,20,27,31H,6-9,11,19,21H2,1-5H3
InChIKeyPSPKADVPFQNSAN-UHFFFAOYSA-N
XLogP7.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine with MolForge

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Related Compounds

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]pentan-2-amine
CID 66993822
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-hexylhexan-1-amine
CID 66994684
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-(2-phenylethyl)pentan-1-amine
CID 66994944
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylhexan-1-amine
CID 63280424
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17156042
6-(2,6-diethylphenyl)-2-methyl-3-(phenoxymethyl)-4-propan-2-yloxypyridine
CID 66995168
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 66993616
1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 17156114
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
N-[(4-methyl-3-pyridinyl)methyl]-1-phenylhexan-1-amine
CID 115900456
N-[(2,4-dimethoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156110
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propan-1-amine
CID 66993566

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine (CID 90827308) is N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine is CCCCCC(NCc1c(OC)cc(-c2c(CC)cccc2CC)nc1C)c1ccccc1.
What is the InChIKey of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine?
The InChIKey is PSPKADVPFQNSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N2O/c1-6-9-11-19-27(25-15-12-10-13-16-25)31-21-26-22(4)32-28(20-29(26)33-5)30-23(7-2)17-14-18-24(30)8-3/h10,12-18,20,27,31H,6-9,11,19,21H2,1-5H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine?
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine has a molecular weight of 444.66 g/mol, XLogP of 7.60, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-1-phenylhexan-1-amine is sourced from PubChem (CID 90827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).