2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone

C14H20N2O3 — CID 107655594

IUPAC2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(CN)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-11-2-3-12(9-15)8-13(11)19-10-14(17)16-4-6-18-7-5-16/h2-3,8H,4-7,9-10,15H2,1H3
InChIKeyVGGNDOHEKYDYTM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.69
Rot. Bonds4

About 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone

2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone (PubChem CID 107655594) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
PubChem CID107655594
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone
SMILESCc1ccc(CN)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-11-2-3-12(9-15)8-13(11)19-10-14(17)16-4-6-18-7-5-16/h2-3,8H,4-7,9-10,15H2,1H3
InChIKeyVGGNDOHEKYDYTM-UHFFFAOYSA-N
XLogP0.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
CID 107665226
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[4-(aminomethyl)-2-chlorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 61389168
2-(2-amino-5-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 102702500
2-[2-bromo-4-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 63045841
5-methyl-2-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 45304075
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-(aminomethyl)-3-fluorophenoxy]-1-morpholin-4-ylethanone
CID 43609224
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 28932844

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone (CID 107655594) is 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone is Cc1ccc(CN)cc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone?
The InChIKey is VGGNDOHEKYDYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-2-3-12(9-15)8-13(11)19-10-14(17)16-4-6-18-7-5-16/h2-3,8H,4-7,9-10,15H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone?
2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone has a molecular weight of 264.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 107655594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).