1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one

C15H22N2O2 — CID 81424795

IUPAC1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESCC(N)C1CN(C(=O)CCc2ccccc2)CCO1
InChIInChI=1S/C15H22N2O2/c1-12(16)14-11-17(9-10-19-14)15(18)8-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3
InChIKeyBMRWFJDWYNASGI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds4

About 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one

1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one (PubChem CID 81424795) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
PubChem CID81424795
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
SMILESCC(N)C1CN(C(=O)CCc2ccccc2)CCO1
InChIInChI=1S/C15H22N2O2/c1-12(16)14-11-17(9-10-19-14)15(18)8-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3
InChIKeyBMRWFJDWYNASGI-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81483913
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(2-chlorophenyl)ethanone
CID 81485233
1-[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 99849466
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
[2-(1-aminoethyl)morpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 81483906
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
4-[3-(2-ethylmorpholin-4-yl)-3-oxopropyl]benzoic acid
CID 119182801
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557
1-[2-(1-aminoethyl)morpholin-4-yl]-2-pyrazol-1-ylethanone
CID 81483915
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one (CID 81424795) is 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one is CC(N)C1CN(C(=O)CCc2ccccc2)CCO1.
What is the InChIKey of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one?
The InChIKey is BMRWFJDWYNASGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(16)14-11-17(9-10-19-14)15(18)8-7-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one?
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 81424795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).