N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine

C14H23NO — CID 2261852

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(OCCNC(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)16-11-10-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeySXEALRYVJDSJCL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine

N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 2261852) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
PubChem CID2261852
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
SMILESCCc1ccc(OCCNC(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)16-11-10-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeySXEALRYVJDSJCL-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine (CID 2261852) is N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine is CCc1ccc(OCCNC(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is SXEALRYVJDSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)16-11-10-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 2261852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).