4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide

C15H23N3O3 — CID 83098387

IUPAC4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CCOc1ccccc1CN
InChIInChI=1S/C15H23N3O3/c1-17-15(19)13-11-20-8-6-18(13)7-9-21-14-5-3-2-4-12(14)10-16/h2-5,13H,6-11,16H2,1H3,(H,17,19)
InChIKeyZLSQQRUOCUQRMB-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.03
Rot. Bonds6

About 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide

4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83098387) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83098387
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CCOc1ccccc1CN
InChIInChI=1S/C15H23N3O3/c1-17-15(19)13-11-20-8-6-18(13)7-9-21-14-5-3-2-4-12(14)10-16/h2-5,13H,6-11,16H2,1H3,(H,17,19)
InChIKeyZLSQQRUOCUQRMB-UHFFFAOYSA-N
XLogP-0.03
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[2-(2-aminoethoxy)ethyl]-N-methylmorpholine-3-carboxamide
CID 103482268
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79468945
4-[(2-aminophenyl)methylsulfonyl]-N-methylmorpholine-3-carboxamide
CID 83096817
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83097793
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide (CID 83098387) is 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CCOc1ccccc1CN.
What is the InChIKey of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is ZLSQQRUOCUQRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-15(19)13-11-20-8-6-18(13)7-9-21-14-5-3-2-4-12(14)10-16/h2-5,13H,6-11,16H2,1H3,(H,17,19).
What are the key properties of 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide?
4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83098387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).