2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine

C15H23NO — CID 106204975

IUPAC2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(OCCC1CC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-2-16-12-15(14-6-4-3-5-7-14)17-11-10-13-8-9-13/h3-7,13,15-16H,2,8-12H2,1H3
InChIKeyVSNLVHUIJXJSIV-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine

2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine (PubChem CID 106204975) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
PubChem CID106204975
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine
SMILESCCNCC(OCCC1CC1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-2-16-12-15(14-6-4-3-5-7-14)17-11-10-13-8-9-13/h3-7,13,15-16H,2,8-12H2,1H3
InChIKeyVSNLVHUIJXJSIV-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
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-ethyl-2-phenylethanamine?
The IUPAC name of 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine (CID 106204975) is 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine is CCNCC(OCCC1CC1)c1ccccc1.
What is the InChIKey of 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine?
The InChIKey is VSNLVHUIJXJSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-16-12-15(14-6-4-3-5-7-14)17-11-10-13-8-9-13/h3-7,13,15-16H,2,8-12H2,1H3.
What are the key properties of 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine?
2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethoxy)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 106204975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).