2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine

C18H29NO — CID 79368179

IUPAC2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(C2OCCC2CNC(C)(C)C)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-9-13(2)16(14(3)10-12)17-15(7-8-20-17)11-19-18(4,5)6/h9-10,15,17,19H,7-8,11H2,1-6H3
InChIKeyJIPINJYOSZHPJE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.08
Rot. Bonds3

About 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79368179) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79368179
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCc1cc(C)c(C2OCCC2CNC(C)(C)C)c(C)c1
InChIInChI=1S/C18H29NO/c1-12-9-13(2)16(14(3)10-12)17-15(7-8-20-17)11-19-18(4,5)6/h9-10,15,17,19H,7-8,11H2,1-6H3
InChIKeyJIPINJYOSZHPJE-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine (CID 79368179) is 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine is Cc1cc(C)c(C2OCCC2CNC(C)(C)C)c(C)c1.
What is the InChIKey of 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is JIPINJYOSZHPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-9-13(2)16(14(3)10-12)17-15(7-8-20-17)11-19-18(4,5)6/h9-10,15,17,19H,7-8,11H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2,4,6-trimethylphenyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79368179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).