N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C17H28N2O — CID 62512616

IUPACN-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(N2CCC(CNCC(C)C)C2)cc1C
InChIInChI=1S/C17H28N2O/c1-13(2)10-18-11-15-7-8-19(12-15)16-5-6-17(20-4)14(3)9-16/h5-6,9,13,15,18H,7-8,10-12H2,1-4H3
InChIKeyBWFKZKCAXLBREL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds6

About N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62512616) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62512616
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(N2CCC(CNCC(C)C)C2)cc1C
InChIInChI=1S/C17H28N2O/c1-13(2)10-18-11-15-7-8-19(12-15)16-5-6-17(20-4)14(3)9-16/h5-6,9,13,15,18H,7-8,10-12H2,1-4H3
InChIKeyBWFKZKCAXLBREL-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62512616) is N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is COc1ccc(N2CCC(CNCC(C)C)C2)cc1C.
What is the InChIKey of N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BWFKZKCAXLBREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)10-18-11-15-7-8-19(12-15)16-5-6-17(20-4)14(3)9-16/h5-6,9,13,15,18H,7-8,10-12H2,1-4H3.
What are the key properties of N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxy-3-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62512616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).