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

C17H26N2O3 — CID 122569997

IUPAC1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(CCCC(=O)N2CCOC(CCN)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-15-7-5-14(6-8-15)3-2-4-17(20)19-11-12-22-16(13-19)9-10-18/h5-8,16H,2-4,9-13,18H2,1H3
InChIKeyHOZPHQCXFALSSM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.59
Rot. Bonds7

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

1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one (PubChem CID 122569997) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
PubChem CID122569997
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one
SMILESCOc1ccc(CCCC(=O)N2CCOC(CCN)C2)cc1
InChIInChI=1S/C17H26N2O3/c1-21-15-7-5-14(6-8-15)3-2-4-17(20)19-11-12-22-16(13-19)9-10-18/h5-8,16H,2-4,9-13,18H2,1H3
InChIKeyHOZPHQCXFALSSM-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1-(2-sulfanylmorpholin-4-yl)butan-1-one
CID 176715120
(2S)-2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 97437793
2-(2-aminoethyl)-N-[4-(4-methoxyphenyl)phenyl]morpholine-4-carboxamide
CID 72872596
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
2-[4-[5-(4-methoxyphenyl)-5-oxopentanoyl]morpholin-2-yl]acetic acid
CID 120687850
3-(furan-2-yl)-1-[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 26334183
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
4-[3-[2-(methoxymethyl)morpholin-4-yl]-3-oxopropyl]benzoic acid
CID 119185780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one (CID 122569997) is 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one is COc1ccc(CCCC(=O)N2CCOC(CCN)C2)cc1.
What is the InChIKey of 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one?
The InChIKey is HOZPHQCXFALSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-15-7-5-14(6-8-15)3-2-4-17(20)19-11-12-22-16(13-19)9-10-18/h5-8,16H,2-4,9-13,18H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one?
1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)morpholin-4-yl]-4-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 122569997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).