2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine

C19H25NO — CID 66689040

IUPAC2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccccc1CCCOCc1ccccc1
InChIInChI=1S/C19H25NO/c1-19(2,20)18-13-7-6-11-17(18)12-8-14-21-15-16-9-4-3-5-10-16/h3-7,9-11,13H,8,12,14-15,20H2,1-2H3
InChIKeyOJUQJAUCETYHIY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.03
Rot. Bonds7

About 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine

2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine (PubChem CID 66689040) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine
PubChem CID66689040
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccccc1CCCOCc1ccccc1
InChIInChI=1S/C19H25NO/c1-19(2,20)18-13-7-6-11-17(18)12-8-14-21-15-16-9-4-3-5-10-16/h3-7,9-11,13H,8,12,14-15,20H2,1-2H3
InChIKeyOJUQJAUCETYHIY-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.03
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-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine?
The IUPAC name of 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine (CID 66689040) is 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine is CC(C)(N)c1ccccc1CCCOCc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine?
The InChIKey is OJUQJAUCETYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-19(2,20)18-13-7-6-11-17(18)12-8-14-21-15-16-9-4-3-5-10-16/h3-7,9-11,13H,8,12,14-15,20H2,1-2H3.
What are the key properties of 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine?
2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylmethoxypropyl)phenyl]propan-2-amine is sourced from PubChem (CID 66689040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).