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

C25H38N2O — CID 66993888

IUPACN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(CC)C(C)C)c(C)n1
InChIInChI=1S/C25H38N2O/c1-9-20-13-12-14-21(10-2)25(20)23-15-24(28-18(6)7)22(19(8)26-23)16-27(11-3)17(4)5/h12-15,17-18H,9-11,16H2,1-8H3
InChIKeyAFICCOIEEOTDAP-UHFFFAOYSA-N
MW382.59 g/mol
LogP6.20
Rot. Bonds9

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

N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine (PubChem CID 66993888) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine
PubChem CID66993888
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC NameN-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine
SMILESCCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(CC)C(C)C)c(C)n1
InChIInChI=1S/C25H38N2O/c1-9-20-13-12-14-21(10-2)25(20)23-15-24(28-18(6)7)22(19(8)26-23)16-27(11-3)17(4)5/h12-15,17-18H,9-11,16H2,1-8H3
InChIKeyAFICCOIEEOTDAP-UHFFFAOYSA-N
XLogP6.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 56.20
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-ethylpropan-2-amine?
The IUPAC name of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine (CID 66993888) is N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine.
What is the SMILES notation for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine?
The canonical SMILES for N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine is CCc1cccc(CC)c1-c1cc(OC(C)C)c(CN(CC)C(C)C)c(C)n1.
What is the InChIKey of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine?
The InChIKey is AFICCOIEEOTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O/c1-9-20-13-12-14-21(10-2)25(20)23-15-24(28-18(6)7)22(19(8)26-23)16-27(11-3)17(4)5/h12-15,17-18H,9-11,16H2,1-8H3.
What are the key properties of N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine?
N-[[6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-pyridinyl]methyl]-N-ethylpropan-2-amine has a molecular weight of 382.59 g/mol, XLogP of 6.20, 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-ethylpropan-2-amine is sourced from PubChem (CID 66993888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).