2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine

C20H27NO — CID 11403756

IUPAC2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine
SMILESCC(ON(C(C)c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H27NO/c1-16(18-12-8-6-9-13-18)21(20(3,4)5)22-17(2)19-14-10-7-11-15-19/h6-17H,1-5H3
InChIKeyBQGYNOVCUQVHNA-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.54
Rot. Bonds5

About 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine

2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine (PubChem CID 11403756) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine
PubChem CID11403756
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine
SMILESCC(ON(C(C)c1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H27NO/c1-16(18-12-8-6-9-13-18)21(20(3,4)5)22-17(2)19-14-10-7-11-15-19/h6-17H,1-5H3
InChIKeyBQGYNOVCUQVHNA-UHFFFAOYSA-N
XLogP5.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.54
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine (CID 11403756) is 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine is CC(ON(C(C)c1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine?
The InChIKey is BQGYNOVCUQVHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-16(18-12-8-6-9-13-18)21(20(3,4)5)22-17(2)19-14-10-7-11-15-19/h6-17H,1-5H3.
What are the key properties of 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine?
2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylethoxy)-N-(1-phenylethyl)propan-2-amine is sourced from PubChem (CID 11403756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).