N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine

C29H38N2O — CID 66995144

IUPACN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(C)C(C)c2ccccc2)c(C)n1
InChIInChI=1S/C29H38N2O/c1-8-23-16-13-17-24(9-2)29(23)27-18-28(32-20(3)4)26(21(5)30-27)19-31(7)22(6)25-14-11-10-12-15-25/h10-18,20,22H,8-9,19H2,1-7H3
InChIKeyLLKYNBXJEYZYQY-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.16
Rot. Bonds9

About N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine (PubChem CID 66995144) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine
PubChem CID66995144
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(C)C(C)c2ccccc2)c(C)n1
InChIInChI=1S/C29H38N2O/c1-8-23-16-13-17-24(9-2)29(23)27-18-28(32-20(3)4)26(21(5)30-27)19-31(7)22(6)25-14-11-10-12-15-25/h10-18,20,22H,8-9,19H2,1-7H3
InChIKeyLLKYNBXJEYZYQY-UHFFFAOYSA-N
XLogP7.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine (CID 66995144) is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(C)C(C)c2ccccc2)c(C)n1.
What is the InChIKey of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine?
The InChIKey is LLKYNBXJEYZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-8-23-16-13-17-24(9-2)29(23)27-18-28(32-20(3)4)26(21(5)30-27)19-31(7)22(6)25-14-11-10-12-15-25/h10-18,20,22H,8-9,19H2,1-7H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine?
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine has a molecular weight of 430.64 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 66995144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).