[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone

C14H20N2O3 — CID 115270840

IUPAC[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOCC2CN)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-7-11(3-4-13(10)18-2)14(17)16-5-6-19-9-12(16)8-15/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyZBZOBIDVJUVHIF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.80
Rot. Bonds3

About [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone

[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone (PubChem CID 115270840) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
PubChem CID115270840
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCOCC2CN)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-7-11(3-4-13(10)18-2)14(17)16-5-6-19-9-12(16)8-15/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyZBZOBIDVJUVHIF-UHFFFAOYSA-N
XLogP0.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 84581547
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673392
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673227
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
(4-hydroxypiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 82480569

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone (CID 115270840) is [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)N2CCOCC2CN)cc1C.
What is the InChIKey of [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is ZBZOBIDVJUVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-7-11(3-4-13(10)18-2)14(17)16-5-6-19-9-12(16)8-15/h3-4,7,12H,5-6,8-9,15H2,1-2H3.
What are the key properties of [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone?
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 264.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 115270840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).