N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine

C17H26N2O — CID 66370743

IUPACN-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(N2CC3CCC(C2)O3)ccc1CNC(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)18-9-14-4-5-15(8-13(14)3)19-10-16-6-7-17(11-19)20-16/h4-5,8,12,16-18H,6-7,9-11H2,1-3H3
InChIKeyBUPMWGIOWCJCMK-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.86
Rot. Bonds4

About N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine

N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine (PubChem CID 66370743) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
PubChem CID66370743
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
SMILESCc1cc(N2CC3CCC(C2)O3)ccc1CNC(C)C
InChIInChI=1S/C17H26N2O/c1-12(2)18-9-14-4-5-15(8-13(14)3)19-10-16-6-7-17(11-19)20-16/h4-5,8,12,16-18H,6-7,9-11H2,1-3H3
InChIKeyBUPMWGIOWCJCMK-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-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-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine (CID 66370743) is N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine is Cc1cc(N2CC3CCC(C2)O3)ccc1CNC(C)C.
What is the InChIKey of N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
The InChIKey is BUPMWGIOWCJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)18-9-14-4-5-15(8-13(14)3)19-10-16-6-7-17(11-19)20-16/h4-5,8,12,16-18H,6-7,9-11H2,1-3H3.
What are the key properties of N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66370743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).