2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride

C21H22ClNO — CID 16737523

IUPAC2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride
SMILESCl.NCC(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21NO.ClH/c22-16-19(15-17-7-3-1-4-8-17)18-11-13-21(14-12-18)23-20-9-5-2-6-10-20;/h1-14,19H,15-16,22H2;1H
InChIKeyZYXWEPHFDGARII-UHFFFAOYSA-N
MW339.87 g/mol
LogP5.19
Rot. Bonds6

About 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride

2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride (PubChem CID 16737523) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride
PubChem CID16737523
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride
SMILESCl.NCC(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21NO.ClH/c22-16-19(15-17-7-3-1-4-8-17)18-11-13-21(14-12-18)23-20-9-5-2-6-10-20;/h1-14,19H,15-16,22H2;1H
InChIKeyZYXWEPHFDGARII-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride (CID 16737523) is 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride is Cl.NCC(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is ZYXWEPHFDGARII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.ClH/c22-16-19(15-17-7-3-1-4-8-17)18-11-13-21(14-12-18)23-20-9-5-2-6-10-20;/h1-14,19H,15-16,22H2;1H.
What are the key properties of 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride?
2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 16737523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).