N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine

C23H33NO — CID 90265282

IUPACN-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
SMILESCC(ON(C(c1ccccc1)C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H33NO/c1-18(19-14-10-8-11-15-19)25-24(23(5,6)7)21(22(2,3)4)20-16-12-9-13-17-20/h8-18,21H,1-7H3
InChIKeyODUJPXVLFBMVAM-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.57
Rot. Bonds5

About N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine

N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine (PubChem CID 90265282) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
PubChem CID90265282
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC NameN-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
SMILESCC(ON(C(c1ccccc1)C(C)(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C23H33NO/c1-18(19-14-10-8-11-15-19)25-24(23(5,6)7)21(22(2,3)4)20-16-12-9-13-17-20/h8-18,21H,1-7H3
InChIKeyODUJPXVLFBMVAM-UHFFFAOYSA-N
XLogP6.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-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-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine (CID 90265282) is N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine is CC(ON(C(c1ccccc1)C(C)(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
The InChIKey is ODUJPXVLFBMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-18(19-14-10-8-11-15-19)25-24(23(5,6)7)21(22(2,3)4)20-16-12-9-13-17-20/h8-18,21H,1-7H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine?
N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine has a molecular weight of 339.52 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine is sourced from PubChem (CID 90265282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).