2-[3-(3-phenylpropoxy)phenyl]ethanamine

C17H21NO — CID 22685049

IUPAC2-[3-(3-phenylpropoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c18-12-11-16-8-4-10-17(14-16)19-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,18H2
InChIKeyPLEPJSOEIOUDKO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.20
Rot. Bonds7

About 2-[3-(3-phenylpropoxy)phenyl]ethanamine

2-[3-(3-phenylpropoxy)phenyl]ethanamine (PubChem CID 22685049) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-(3-phenylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-phenylpropoxy)phenyl]ethanamine
PubChem CID22685049
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[3-(3-phenylpropoxy)phenyl]ethanamine
SMILESNCCc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO/c18-12-11-16-8-4-10-17(14-16)19-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,18H2
InChIKeyPLEPJSOEIOUDKO-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.20
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 2-[3-(3-phenylpropoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-phenylpropoxy)phenyl]ethanamine (CID 22685049) is 2-[3-(3-phenylpropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-phenylpropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-phenylpropoxy)phenyl]ethanamine is NCCc1cccc(OCCCc2ccccc2)c1.
What is the InChIKey of 2-[3-(3-phenylpropoxy)phenyl]ethanamine?
The InChIKey is PLEPJSOEIOUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c18-12-11-16-8-4-10-17(14-16)19-13-5-9-15-6-2-1-3-7-15/h1-4,6-8,10,14H,5,9,11-13,18H2.
What are the key properties of 2-[3-(3-phenylpropoxy)phenyl]ethanamine?
2-[3-(3-phenylpropoxy)phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 22685049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).