1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine

C15H23NO — CID 63907720

IUPAC1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCNC(COc1cc(C)cc(C)c1C)C1CC1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)12(3)15(8-10)17-9-14(16-4)13-5-6-13/h7-8,13-14,16H,5-6,9H2,1-4H3
InChIKeyDJHYVSBMBARSKM-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine

1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine (PubChem CID 63907720) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
PubChem CID63907720
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
SMILESCNC(COc1cc(C)cc(C)c1C)C1CC1
InChIInChI=1S/C15H23NO/c1-10-7-11(2)12(3)15(8-10)17-9-14(16-4)13-5-6-13/h7-8,13-14,16H,5-6,9H2,1-4H3
InChIKeyDJHYVSBMBARSKM-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 104748853
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
CID 113448551
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
2-(2,4-dimethylphenoxy)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748375
N-methyl-1-(oxolan-3-yl)-2-(2,4,6-trimethylphenoxy)ethanamine
CID 104749198
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
N-methyl-1-(4-methylphenyl)-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63474209
1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 104749034
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
1-cyclopropyl-N-methyl-2-(2-propan-2-ylphenoxy)ethanamine
CID 63915324

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine (CID 63907720) is 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine is CNC(COc1cc(C)cc(C)c1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine?
The InChIKey is DJHYVSBMBARSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-7-11(2)12(3)15(8-10)17-9-14(16-4)13-5-6-13/h7-8,13-14,16H,5-6,9H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine?
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine is sourced from PubChem (CID 63907720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).