N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine

C15H25NO — CID 869467

IUPACN,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine
SMILESCCN(CC)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-16(6-2)10-11-17-15-9-7-8-14(12-15)13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyHCNLDLXAIBSIPG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.53
Rot. Bonds7

About N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine

N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine (PubChem CID 869467) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine
PubChem CID869467
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine
SMILESCCN(CC)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-16(6-2)10-11-17-15-9-7-8-14(12-15)13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyHCNLDLXAIBSIPG-UHFFFAOYSA-N
XLogP3.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine (CID 869467) is N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine is CCN(CC)CCOc1cccc(C(C)C)c1.
What is the InChIKey of N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine?
The InChIKey is HCNLDLXAIBSIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-16(6-2)10-11-17-15-9-7-8-14(12-15)13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3.
What are the key properties of N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine?
N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 869467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).