2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one

C17H24N2O2 — CID 79971868

IUPAC2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESNCC(Cc1cccc(C2CC2)c1)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O2/c18-12-16(17(20)19-6-8-21-9-7-19)11-13-2-1-3-15(10-13)14-4-5-14/h1-3,10,14,16H,4-9,11-12,18H2
InChIKeyGMDJMTGINTVAMA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.54
Rot. Bonds5

About 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one

2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one (PubChem CID 79971868) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
PubChem CID79971868
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one
SMILESNCC(Cc1cccc(C2CC2)c1)C(=O)N1CCOCC1
InChIInChI=1S/C17H24N2O2/c18-12-16(17(20)19-6-8-21-9-7-19)11-13-2-1-3-15(10-13)14-4-5-14/h1-3,10,14,16H,4-9,11-12,18H2
InChIKeyGMDJMTGINTVAMA-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(3-methylphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 62081897
2-(aminomethyl)-1-[2-(hydroxymethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81203805
2-(aminomethyl)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylpropan-1-one
CID 62081726
1-[3-(oxan-4-yl)phenyl]propan-2-amine
CID 117313397
2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 119051980
(2R)-2-[[di(cyclobutyl)methylamino]methyl]-3-(3-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 124844972
2-(aminomethyl)-3-(2-methylpyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 114553858
2-(aminomethyl)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62081543
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 102956893
2-(aminomethyl)-1-(4-phenylpiperidin-1-yl)pentan-1-one
CID 65229548
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 23587180

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one (CID 79971868) is 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one is NCC(Cc1cccc(C2CC2)c1)C(=O)N1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is GMDJMTGINTVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-12-16(17(20)19-6-8-21-9-7-19)11-13-2-1-3-15(10-13)14-4-5-14/h1-3,10,14,16H,4-9,11-12,18H2.
What are the key properties of 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one?
2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-cyclopropylphenyl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 79971868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).