N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine

C18H29NO2 — CID 114621113

IUPACN-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO2/c1-12-8-9-15(14(10-12)13(2)19-7)20-16-11-17(3,4)21-18(16,5)6/h8-10,13,16,19H,11H2,1-7H3
InChIKeyVZFMVDXTVHSAAX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.00
Rot. Bonds4

About N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine

N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine (PubChem CID 114621113) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
PubChem CID114621113
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
SMILESCNC(C)c1cc(C)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C18H29NO2/c1-12-8-9-15(14(10-12)13(2)19-7)20-16-11-17(3,4)21-18(16,5)6/h8-10,13,16,19H,11H2,1-7H3
InChIKeyVZFMVDXTVHSAAX-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
CID 114621141
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
CID 114621180
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79907759
(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenesulfonamide
CID 114621747
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
1-[4-methoxy-3-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621100
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylmethanamine
CID 114621099
N-methyl-1-[5-methyl-2-(2-methylpropoxy)phenyl]ethanamine
CID 43505072
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
N-(2-methoxy-4-methylphenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79928376
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine (CID 114621113) is N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine is CNC(C)c1cc(C)ccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
The InChIKey is VZFMVDXTVHSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-8-9-15(14(10-12)13(2)19-7)20-16-11-17(3,4)21-18(16,5)6/h8-10,13,16,19H,11H2,1-7H3.
What are the key properties of N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine?
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 114621113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).