N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine

C13H20N2O — CID 81466424

IUPACN-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(NC2CC(C)N(C)C2)cc1
InChIInChI=1S/C13H20N2O/c1-10-8-12(9-15(10)2)14-11-4-6-13(16-3)7-5-11/h4-7,10,12,14H,8-9H2,1-3H3
InChIKeyQGRSTOINEBNVBV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.20
Rot. Bonds3

About N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine

N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466424) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466424
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(NC2CC(C)N(C)C2)cc1
InChIInChI=1S/C13H20N2O/c1-10-8-12(9-15(10)2)14-11-4-6-13(16-3)7-5-11/h4-7,10,12,14H,8-9H2,1-3H3
InChIKeyQGRSTOINEBNVBV-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
CID 81466938
N-(2,4-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467101
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
4-[(1,5-dimethylpyrrolidin-3-yl)amino]benzoic acid
CID 81466326
1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 81465612
N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]cyclopropanecarboxamide
CID 81466509
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
N-(9H-fluoren-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81469099

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466424) is N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine is COc1ccc(NC2CC(C)N(C)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is QGRSTOINEBNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-12(9-15(10)2)14-11-4-6-13(16-3)7-5-11/h4-7,10,12,14H,8-9H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).