[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone

C15H22N2O3 — CID 81484012

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C15H22N2O3/c1-10-4-5-13(19-3)12(8-10)15(18)17-6-7-20-14(9-17)11(2)16/h4-5,8,11,14H,6-7,9,16H2,1-3H3
InChIKeyCFUJKLBBOKBJRE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.19
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone (PubChem CID 81484012) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
PubChem CID81484012
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C15H22N2O3/c1-10-4-5-13(19-3)12(8-10)15(18)17-6-7-20-14(9-17)11(2)16/h4-5,8,11,14H,6-7,9,16H2,1-3H3
InChIKeyCFUJKLBBOKBJRE-UHFFFAOYSA-N
XLogP1.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 81484092
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 81484800
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671724
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone (CID 81484012) is [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is CFUJKLBBOKBJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-5-13(19-3)12(8-10)15(18)17-6-7-20-14(9-17)11(2)16/h4-5,8,11,14H,6-7,9,16H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 81484012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).