1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine

C18H29NO2 — CID 116520773

IUPAC1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C18H29NO2/c1-6-19-14(3)16-11-13(2)7-8-17(16)20-12-15-9-10-18(4,5)21-15/h7-8,11,14-15,19H,6,9-10,12H2,1-5H3
InChIKeyHFIDPFSGQOFLNE-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.00
Rot. Bonds6

About 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine

1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine (PubChem CID 116520773) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
PubChem CID116520773
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCC1CCC(C)(C)O1
InChIInChI=1S/C18H29NO2/c1-6-19-14(3)16-11-13(2)7-8-17(16)20-12-15-9-10-18(4,5)21-15/h7-8,11,14-15,19H,6,9-10,12H2,1-5H3
InChIKeyHFIDPFSGQOFLNE-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-N-ethylethanamine
CID 116520860
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 116520835
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]-N-methylethanamine
CID 116520806
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520805
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzonitrile
CID 116521824

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine (CID 116520773) is 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine is CCNC(C)c1cc(C)ccc1OCC1CCC(C)(C)O1.
What is the InChIKey of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The InChIKey is HFIDPFSGQOFLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-19-14(3)16-11-13(2)7-8-17(16)20-12-15-9-10-18(4,5)21-15/h7-8,11,14-15,19H,6,9-10,12H2,1-5H3.
What are the key properties of 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine?
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 116520773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).