2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine

C16H27NO — CID 88884683

IUPAC2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine
SMILESCCC(c1ccccc1)N(OC(C)C)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-7-15(14-11-9-8-10-12-14)17(16(4,5)6)18-13(2)3/h8-13,15H,7H2,1-6H3
InChIKeyLTPRTNTZFDZDFB-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.58
Rot. Bonds5

About 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine

2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine (PubChem CID 88884683) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine
PubChem CID88884683
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine
SMILESCCC(c1ccccc1)N(OC(C)C)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-7-15(14-11-9-8-10-12-14)17(16(4,5)6)18-13(2)3/h8-13,15H,7H2,1-6H3
InChIKeyLTPRTNTZFDZDFB-UHFFFAOYSA-N
XLogP4.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.58
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-phenylpropyl)-N-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine (CID 88884683) is 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine is CCC(c1ccccc1)N(OC(C)C)C(C)(C)C.
What is the InChIKey of 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine?
The InChIKey is LTPRTNTZFDZDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-15(14-11-9-8-10-12-14)17(16(4,5)6)18-13(2)3/h8-13,15H,7H2,1-6H3.
What are the key properties of 2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine?
2-methyl-N-(1-phenylpropyl)-N-propan-2-yloxypropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 4.58, 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-phenylpropyl)-N-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 88884683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).