2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine

C15H23NO — CID 106204976

IUPAC2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNCC(OCCC1CC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-12-3-7-14(8-4-12)15(11-16-2)17-10-9-13-5-6-13/h3-4,7-8,13,15-16H,5-6,9-11H2,1-2H3
InChIKeyYCKRDSAUDCNTAQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.07
Rot. Bonds7

About 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine

2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 106204976) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID106204976
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNCC(OCCC1CC1)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-12-3-7-14(8-4-12)15(11-16-2)17-10-9-13-5-6-13/h3-4,7-8,13,15-16H,5-6,9-11H2,1-2H3
InChIKeyYCKRDSAUDCNTAQ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine (CID 106204976) is 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine is CNCC(OCCC1CC1)c1ccc(C)cc1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is YCKRDSAUDCNTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-3-7-14(8-4-12)15(11-16-2)17-10-9-13-5-6-13/h3-4,7-8,13,15-16H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine?
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 106204976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).