N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine

C30H31NO — CID 59962330

IUPACN-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine
SMILESCC(C)(ON(Cc1ccccc1)C(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO/c1-30(2,28-21-13-6-14-22-28)32-31(24-26-17-9-4-10-18-26)29(27-19-11-5-12-20-27)23-25-15-7-3-8-16-25/h3-22,29H,23-24H2,1-2H3
InChIKeyWVNQQFGGSOEWEX-UHFFFAOYSA-N
MW421.58 g/mol
LogP7.34
Rot. Bonds9

About N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine

N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine (PubChem CID 59962330) has the molecular formula C30H31NO and a molecular weight of 421.58 g/mol. Its IUPAC name is N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine.

Molecular Properties

Compound NameN-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine
PubChem CID59962330
Molecular FormulaC30H31NO
Molecular Weight421.58 g/mol
Exact Mass421.24
IUPAC NameN-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine
SMILESCC(C)(ON(Cc1ccccc1)C(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO/c1-30(2,28-21-13-6-14-22-28)32-31(24-26-17-9-4-10-18-26)29(27-19-11-5-12-20-27)23-25-15-7-3-8-16-25/h3-22,29H,23-24H2,1-2H3
InChIKeyWVNQQFGGSOEWEX-UHFFFAOYSA-N
XLogP7.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.58
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-Benzhydryl-4-phenylpiperidin-4-ol
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1-Benzhydryl-4-o-tolylpiperidin-4-ol
CID 20481138
4-Phenyl-1-(1-phenylpropyl)piperidin-4-ol
CID 44426806
4-Phenyl-1-(1-phenylbutyl)piperidin-4-ol
CID 44426807
4-Phenyl-1-(1-phenylpentyl)piperidin-4-ol
CID 44426808
4-(4-Fluorophenyl)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729786
1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine?
The IUPAC name of N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine (CID 59962330) is N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine.
What is the SMILES notation for N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine?
The canonical SMILES for N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine is CC(C)(ON(Cc1ccccc1)C(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine?
The InChIKey is WVNQQFGGSOEWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO/c1-30(2,28-21-13-6-14-22-28)32-31(24-26-17-9-4-10-18-26)29(27-19-11-5-12-20-27)23-25-15-7-3-8-16-25/h3-22,29H,23-24H2,1-2H3.
What are the key properties of N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine?
N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine has a molecular weight of 421.58 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2-diphenyl-N-(2-phenylpropan-2-yloxy)ethanamine is sourced from PubChem (CID 59962330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).