N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

C17H27NO — CID 115828617

IUPACN-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)C1CCC(C)O1
InChIInChI=1S/C17H27NO/c1-11-8-12(2)15(13(3)9-11)10-16(18-5)17-7-6-14(4)19-17/h8-9,14,16-18H,6-7,10H2,1-5H3
InChIKeyDHWLAFMVIWQHDA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.31
Rot. Bonds4

About N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine

N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115828617) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115828617
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(Cc1c(C)cc(C)cc1C)C1CCC(C)O1
InChIInChI=1S/C17H27NO/c1-11-8-12(2)15(13(3)9-11)10-16(18-5)17-7-6-14(4)19-17/h8-9,14,16-18H,6-7,10H2,1-5H3
InChIKeyDHWLAFMVIWQHDA-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828599
2-(3,4-dichlorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115843383
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115842333
2-(3-fluorophenyl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115795534
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
N-methyl-1-(5-methyloxolan-2-yl)-2-thiophen-3-ylethanamine
CID 115845115
N-methyl-1-(5-methyloxolan-2-yl)hexan-1-amine
CID 115837035
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 105031407
N-[(3,5-dimethylphenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115796924
N-(3-bromo-5-methylphenyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 107582802
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 104998654

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115828617) is N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine is CNC(Cc1c(C)cc(C)cc1C)C1CCC(C)O1.
What is the InChIKey of N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is DHWLAFMVIWQHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11-8-12(2)15(13(3)9-11)10-16(18-5)17-7-6-14(4)19-17/h8-9,14,16-18H,6-7,10H2,1-5H3.
What are the key properties of N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115828617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).