1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

C17H27NO — CID 105018466

IUPAC1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCc1cccc(C(NC)C2C(C)OC(C)C2C)c1
InChIInChI=1S/C17H27NO/c1-6-14-8-7-9-15(10-14)17(18-5)16-11(2)12(3)19-13(16)4/h7-13,16-18H,6H2,1-5H3
InChIKeyLMNUMYQEJLYTMY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.57
Rot. Bonds4

About 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine

1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 105018466) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID105018466
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCCc1cccc(C(NC)C2C(C)OC(C)C2C)c1
InChIInChI=1S/C17H27NO/c1-6-14-8-7-9-15(10-14)17(18-5)16-11(2)12(3)19-13(16)4/h7-13,16-18H,6H2,1-5H3
InChIKeyLMNUMYQEJLYTMY-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 105018466) is 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is CCc1cccc(C(NC)C2C(C)OC(C)C2C)c1.
What is the InChIKey of 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is LMNUMYQEJLYTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-6-14-8-7-9-15(10-14)17(18-5)16-11(2)12(3)19-13(16)4/h7-13,16-18H,6H2,1-5H3.
What are the key properties of 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine?
1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105018466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).