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

C16H24N2O2 — CID 81483913

IUPAC1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
SMILESCC(N)C1CN(C(=O)CCCc2ccccc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-13(17)15-12-18(10-11-20-15)16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,17H2,1H3
InChIKeyREQBMFXHKNXOID-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.58
Rot. Bonds5

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

1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one (PubChem CID 81483913) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
PubChem CID81483913
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one
SMILESCC(N)C1CN(C(=O)CCCc2ccccc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-13(17)15-12-18(10-11-20-15)16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,17H2,1H3
InChIKeyREQBMFXHKNXOID-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
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
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 121134473
[2-(1-aminoethyl)morpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 81483906
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
1-[2-(1-aminoethyl)morpholin-4-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 81485666
N-[3-[2-(1-aminoethyl)morpholin-4-yl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 170858557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one (CID 81483913) is 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one is CC(N)C1CN(C(=O)CCCc2ccccc2)CCO1.
What is the InChIKey of 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one?
The InChIKey is REQBMFXHKNXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(17)15-12-18(10-11-20-15)16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12,17H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one?
1-[2-(1-aminoethyl)morpholin-4-yl]-4-phenylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.58, 5 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]-4-phenylbutan-1-one is sourced from PubChem (CID 81483913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).