2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride

C20H20ClNO — CID 16735929

IUPAC2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO.ClH/c21-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)22-18-9-5-2-6-10-18;/h1-14,20H,15,21H2;1H
InChIKeyAPTYMINYEAZQBG-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.99
Rot. Bonds5

About 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride

2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride (PubChem CID 16735929) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride
PubChem CID16735929
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride
SMILESCl.NCC(c1ccccc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H19NO.ClH/c21-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)22-18-9-5-2-6-10-18;/h1-14,20H,15,21H2;1H
InChIKeyAPTYMINYEAZQBG-UHFFFAOYSA-N
XLogP4.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride?
The IUPAC name of 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride (CID 16735929) is 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride is Cl.NCC(c1ccccc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride?
The InChIKey is APTYMINYEAZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO.ClH/c21-15-20(16-7-3-1-4-8-16)17-11-13-19(14-12-17)22-18-9-5-2-6-10-18;/h1-14,20H,15,21H2;1H.
What are the key properties of 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride?
2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 16735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).