4-[2-(2-phenylethyl)phenoxy]butan-1-amine

C18H23NO — CID 11357698

IUPAC4-[2-(2-phenylethyl)phenoxy]butan-1-amine
SMILESNCCCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C18H23NO/c19-14-6-7-15-20-18-11-5-4-10-17(18)13-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15,19H2
InChIKeyWEGUTNSYGZRXOT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.59
Rot. Bonds8

About 4-[2-(2-phenylethyl)phenoxy]butan-1-amine

4-[2-(2-phenylethyl)phenoxy]butan-1-amine (PubChem CID 11357698) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(2-phenylethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-phenylethyl)phenoxy]butan-1-amine
PubChem CID11357698
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[2-(2-phenylethyl)phenoxy]butan-1-amine
SMILESNCCCCOc1ccccc1CCc1ccccc1
InChIInChI=1S/C18H23NO/c19-14-6-7-15-20-18-11-5-4-10-17(18)13-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15,19H2
InChIKeyWEGUTNSYGZRXOT-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.59
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 4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
The IUPAC name of 4-[2-(2-phenylethyl)phenoxy]butan-1-amine (CID 11357698) is 4-[2-(2-phenylethyl)phenoxy]butan-1-amine.
What is the SMILES notation for 4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
The canonical SMILES for 4-[2-(2-phenylethyl)phenoxy]butan-1-amine is NCCCCOc1ccccc1CCc1ccccc1.
What is the InChIKey of 4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
The InChIKey is WEGUTNSYGZRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c19-14-6-7-15-20-18-11-5-4-10-17(18)13-12-16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15,19H2.
What are the key properties of 4-[2-(2-phenylethyl)phenoxy]butan-1-amine?
4-[2-(2-phenylethyl)phenoxy]butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 11357698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).