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

C27H34N2O — CID 66994957

IUPACN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)Cc1cnc(-c2c(CC)cccc2CC)cc1OC
InChIInChI=1S/C27H34N2O/c1-5-16-29(19-21-12-9-8-10-13-21)20-24-18-28-25(17-26(24)30-4)27-22(6-2)14-11-15-23(27)7-3/h8-15,17-18H,5-7,16,19-20H2,1-4H3
InChIKeyRHSXIFBOLXWHCP-UHFFFAOYSA-N
MW402.58 g/mol
LogP6.29
Rot. Bonds10

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

N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine (PubChem CID 66994957) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine
PubChem CID66994957
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCN(Cc1ccccc1)Cc1cnc(-c2c(CC)cccc2CC)cc1OC
InChIInChI=1S/C27H34N2O/c1-5-16-29(19-21-12-9-8-10-13-21)20-24-18-28-25(17-26(24)30-4)27-22(6-2)14-11-15-23(27)7-3/h8-15,17-18H,5-7,16,19-20H2,1-4H3
InChIKeyRHSXIFBOLXWHCP-UHFFFAOYSA-N
XLogP6.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-(4-chlorophenyl)-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]-N-methylmethanamine
CID 66993974
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-[[6-(2,6-diethylphenyl)-2-methyl-3-pyridinyl]methyl]butan-1-amine
CID 66994094
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
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
5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994574
5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994791
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 67291088
N-benzyl-N-[(4-methoxy-2,3-dimethylphenyl)methyl]butan-1-amine
CID 2244814
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine (CID 66994957) is N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine is CCCN(Cc1ccccc1)Cc1cnc(-c2c(CC)cccc2CC)cc1OC.
What is the InChIKey of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RHSXIFBOLXWHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-5-16-29(19-21-12-9-8-10-13-21)20-24-18-28-25(17-26(24)30-4)27-22(6-2)14-11-15-23(27)7-3/h8-15,17-18H,5-7,16,19-20H2,1-4H3.
What are the key properties of N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine?
N-benzyl-N-[[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 402.58 g/mol, XLogP of 6.29, 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)-4-methoxy-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 66994957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).