2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C19H31NO — CID 105052966

IUPAC2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C19H31NO/c1-13-8-9-14(2)15(10-13)11-17(20-7)16-12-18(3,4)21-19(16,5)6/h8-10,16-17,20H,11-12H2,1-7H3
InChIKeyUJHHYBUKGWCVKY-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.03
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 105052966) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID105052966
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(C)ccc1C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C19H31NO/c1-13-8-9-14(2)15(10-13)11-17(20-7)16-12-18(3,4)21-19(16,5)6/h8-10,16-17,20H,11-12H2,1-7H3
InChIKeyUJHHYBUKGWCVKY-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052763
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
2-(3,4-difluorophenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105052994
[2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105208446
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622944
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658770
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]methanamine
CID 114621141
1-(2,3-dihydro-1H-inden-1-yl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 65406106
[(3-fluoro-4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]hydrazine
CID 105201628

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 105052966) is 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CNC(Cc1cc(C)ccc1C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is UJHHYBUKGWCVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-8-9-14(2)15(10-13)11-17(20-7)16-12-18(3,4)21-19(16,5)6/h8-10,16-17,20H,11-12H2,1-7H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105052966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).