1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine

C15H24N2O — CID 81466938

IUPAC1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
SMILESCCCOc1ccc(NC2CC(C)N(C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-4-9-18-15-7-5-13(6-8-15)16-14-10-12(2)17(3)11-14/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyUTMSAZMFESDAOE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds5

About 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine

1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine (PubChem CID 81466938) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
PubChem CID81466938
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
SMILESCCCOc1ccc(NC2CC(C)N(C)C2)cc1
InChIInChI=1S/C15H24N2O/c1-4-9-18-15-7-5-13(6-8-15)16-14-10-12(2)17(3)11-14/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyUTMSAZMFESDAOE-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine 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

N-(4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466424
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
1-N-(1,5-dimethylpyrrolidin-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 81465612
4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
4-[(1,5-dimethylpyrrolidin-3-yl)amino]benzoic acid
CID 81466326
N-(4-methoxy-3-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466833
N-[4-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-amine
CID 79942281
N-(2-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465704
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
1-N-[4-(2-methoxyethoxy)phenyl]cyclobutane-1,3-diamine
CID 80560810

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine (CID 81466938) is 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine is CCCOc1ccc(NC2CC(C)N(C)C2)cc1.
What is the InChIKey of 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine?
The InChIKey is UTMSAZMFESDAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-9-18-15-7-5-13(6-8-15)16-14-10-12(2)17(3)11-14/h5-8,12,14,16H,4,9-11H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine?
1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 81466938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).