1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine

C14H22N2O3 — CID 117420098

IUPAC1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(OC)c(N2CCCC2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-9-12(16-6-4-5-7-16)14(18-2)8-11(13)10-15-19-3/h8-9,15H,4-7,10H2,1-3H3
InChIKeyNBRCCIWHOWQOKF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.96
Rot. Bonds6

About 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine

1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine (PubChem CID 117420098) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
PubChem CID117420098
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine
SMILESCONCc1cc(OC)c(N2CCCC2)cc1OC
InChIInChI=1S/C14H22N2O3/c1-17-13-9-12(16-6-4-5-7-16)14(18-2)8-11(13)10-15-19-3/h8-9,15H,4-7,10H2,1-3H3
InChIKeyNBRCCIWHOWQOKF-UHFFFAOYSA-N
XLogP1.96
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117415704
2-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)ethanol
CID 117381555
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350
1-(4-chloro-2,5-dimethoxyphenyl)-N-methoxymethanamine
CID 117335514
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
1-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-N-methoxymethanamine
CID 117330353
[1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)cyclopropyl]methanamine
CID 117469339
1-[(2-chloro-5-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-2-phenylhydrazine
CID 169386545
1-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117359818
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine (CID 117420098) is 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine is CONCc1cc(OC)c(N2CCCC2)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine?
The InChIKey is NBRCCIWHOWQOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-17-13-9-12(16-6-4-5-7-16)14(18-2)8-11(13)10-15-19-3/h8-9,15H,4-7,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine?
1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine has a molecular weight of 266.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)-N-methoxymethanamine is sourced from PubChem (CID 117420098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).