[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone

C12H16N2O4 — CID 107702086

IUPAC[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
SMILESNCC1CN(C(=O)c2cc(O)cc(O)c2)CCO1
InChIInChI=1S/C12H16N2O4/c13-6-11-7-14(1-2-18-11)12(17)8-3-9(15)5-10(16)4-8/h3-5,11,15-16H,1-2,6-7,13H2
InChIKeyPMOXGYRVENNLAD-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.10
Rot. Bonds2

About [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone

[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone (PubChem CID 107702086) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
PubChem CID107702086
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
SMILESNCC1CN(C(=O)c2cc(O)cc(O)c2)CCO1
InChIInChI=1S/C12H16N2O4/c13-6-11-7-14(1-2-18-11)12(17)8-3-9(15)5-10(16)4-8/h3-5,11,15-16H,1-2,6-7,13H2
InChIKeyPMOXGYRVENNLAD-UHFFFAOYSA-N
XLogP-0.10
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
[2-(aminomethyl)morpholin-4-yl]-(3-methyl-5-nitrophenyl)methanone
CID 114398165
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
1-[2-(aminomethyl)morpholin-4-yl]but-2-yn-1-one
CID 107990828

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone (CID 107702086) is [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone is NCC1CN(C(=O)c2cc(O)cc(O)c2)CCO1.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone?
The InChIKey is PMOXGYRVENNLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c13-6-11-7-14(1-2-18-11)12(17)8-3-9(15)5-10(16)4-8/h3-5,11,15-16H,1-2,6-7,13H2.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone?
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone has a molecular weight of 252.27 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107702086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).