1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine

C14H22N2O2 — CID 116951034

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCNC(c1ccc(OC)cc1OC)C1CCNC1
InChIInChI=1S/C14H22N2O2/c1-15-14(10-6-7-16-9-10)12-5-4-11(17-2)8-13(12)18-3/h4-5,8,10,14-16H,6-7,9H2,1-3H3
InChIKeyKQOBXSASJHOYTA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine

1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine (PubChem CID 116951034) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
PubChem CID116951034
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
SMILESCNC(c1ccc(OC)cc1OC)C1CCNC1
InChIInChI=1S/C14H22N2O2/c1-15-14(10-6-7-16-9-10)12-5-4-11(17-2)8-13(12)18-3/h4-5,8,10,14-16H,6-7,9H2,1-3H3
InChIKeyKQOBXSASJHOYTA-UHFFFAOYSA-N
XLogP1.57
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
CID 79024060
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951367
[(2,4-dimethoxyphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229519
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
[(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105231871
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine (CID 116951034) is 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine is CNC(c1ccc(OC)cc1OC)C1CCNC1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
The InChIKey is KQOBXSASJHOYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15-14(10-6-7-16-9-10)12-5-4-11(17-2)8-13(12)18-3/h4-5,8,10,14-16H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine?
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine has a molecular weight of 250.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116951034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).