3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine

C18H23NO — CID 10492217

IUPAC3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3
InChIKeyXDHLBWHMNWHIPC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.12
Rot. Bonds7

About 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine

3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 10492217) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine
PubChem CID10492217
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOc1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3
InChIKeyXDHLBWHMNWHIPC-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.12
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 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine (CID 10492217) is 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine is CC(C)NCCCOc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is XDHLBWHMNWHIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(2)19-12-7-13-20-18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-6,8-11,14-15,19H,7,12-13H2,1-2H3.
What are the key properties of 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine?
3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 10492217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).