(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

C14H20N2O3 — CID 115413350

IUPAC(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(OC)cc2N)C1
InChIInChI=1S/C14H20N2O3/c1-18-9-10-5-6-16(8-10)14(17)12-4-3-11(19-2)7-13(12)15/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyQVMIIRYUPLYGFF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.39
Rot. Bonds4

About (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 115413350) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID115413350
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(OC)cc2N)C1
InChIInChI=1S/C14H20N2O3/c1-18-9-10-5-6-16(8-10)14(17)12-4-3-11(19-2)7-13(12)15/h3-4,7,10H,5-6,8-9,15H2,1-2H3
InChIKeyQVMIIRYUPLYGFF-UHFFFAOYSA-N
XLogP1.39
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methoxyphenyl)methanone
CID 62063385
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
1-(2-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
(5-amino-2,4-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64568795
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 115413350) is (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCN(C(=O)c2ccc(OC)cc2N)C1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QVMIIRYUPLYGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-9-10-5-6-16(8-10)14(17)12-4-3-11(19-2)7-13(12)15/h3-4,7,10H,5-6,8-9,15H2,1-2H3.
What are the key properties of (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115413350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).