2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine

C14H22N2O3 — CID 3407391

IUPAC2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8,10,15H2,1-2H3
InChIKeyDPDHBGJASQWDBQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.04
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine

2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine (PubChem CID 3407391) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
PubChem CID3407391
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine
SMILESCOc1ccc(C(CN)N2CCOCC2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8,10,15H2,1-2H3
InChIKeyDPDHBGJASQWDBQ-UHFFFAOYSA-N
XLogP1.04
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine (CID 3407391) is 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine is COc1ccc(C(CN)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine?
The InChIKey is DPDHBGJASQWDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-13-4-3-11(9-14(13)18-2)12(10-15)16-5-7-19-8-6-16/h3-4,9,12H,5-8,10,15H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine?
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine has a molecular weight of 266.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethanamine is sourced from PubChem (CID 3407391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).