1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine

C17H29NO3 — CID 103487528

IUPAC1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
SMILESCCNC(COC(C)COCC)c1ccccc1OCC
InChIInChI=1S/C17H29NO3/c1-5-18-16(13-21-14(4)12-19-6-2)15-10-8-9-11-17(15)20-7-3/h8-11,14,16,18H,5-7,12-13H2,1-4H3
InChIKeyCJNMKLMVYZRLSA-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.18
Rot. Bonds11

About 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine

1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine (PubChem CID 103487528) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
PubChem CID103487528
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine
SMILESCCNC(COC(C)COCC)c1ccccc1OCC
InChIInChI=1S/C17H29NO3/c1-5-18-16(13-21-14(4)12-19-6-2)15-10-8-9-11-17(15)20-7-3/h8-11,14,16,18H,5-7,12-13H2,1-4H3
InChIKeyCJNMKLMVYZRLSA-UHFFFAOYSA-N
XLogP3.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
2-cyclobutyloxy-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 62114747
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
2-(1-ethoxypropan-2-yloxy)-N-methyl-1-naphthalen-1-ylethanamine
CID 103487413
2-tert-butylsulfinyl-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 64650902
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
1-(2-ethoxyphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61066318
1-(2-ethoxyphenyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115533968

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine (CID 103487528) is 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine is CCNC(COC(C)COCC)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine?
The InChIKey is CJNMKLMVYZRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-18-16(13-21-14(4)12-19-6-2)15-10-8-9-11-17(15)20-7-3/h8-11,14,16,18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine?
1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine has a molecular weight of 295.42 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(1-ethoxypropan-2-yloxy)-N-ethylethanamine is sourced from PubChem (CID 103487528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).