N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine

C14H22N2O2 — CID 115118772

IUPACN-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCOc1cc(C)c(N(C)C2CCNC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-12(17-3)8-13(18-4)14(10)16(2)11-5-6-15-9-11/h7-8,11,15H,5-6,9H2,1-4H3
InChIKeyJMASHNMTKXUJGW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds4

About N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine

N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine (PubChem CID 115118772) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
PubChem CID115118772
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine
SMILESCOc1cc(C)c(N(C)C2CCNC2)c(OC)c1
InChIInChI=1S/C14H22N2O2/c1-10-7-12(17-3)8-13(18-4)14(10)16(2)11-5-6-15-9-11/h7-8,11,15H,5-6,9H2,1-4H3
InChIKeyJMASHNMTKXUJGW-UHFFFAOYSA-N
XLogP1.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118959
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346
5-methoxy-N,2-dimethyl-N-pyrrolidin-3-ylpyridin-4-amine
CID 106660833
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-cyclopropyl-2,4,6-trimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120875651
N-(3-tert-butyl-4-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 115118686
3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
N-(2-fluoro-5-methoxy-4-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 107260460
N-[(2,4-dimethoxy-6-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208846
N-(4,5-dimethyl-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 114281474
N-(2,4-dimethylphenyl)-N-methylpyrrolidin-3-amine
CID 78989080
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine (CID 115118772) is N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine is COc1cc(C)c(N(C)C2CCNC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine?
The InChIKey is JMASHNMTKXUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-7-12(17-3)8-13(18-4)14(10)16(2)11-5-6-15-9-11/h7-8,11,15H,5-6,9H2,1-4H3.
What are the key properties of N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine?
N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine has a molecular weight of 250.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-6-methylphenyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115118772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).