2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride

C22H24ClNO2 — CID 2723941

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H23NO2.ClH/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20;/h1-12,15H,13-14,16-17,23H2;1H
InChIKeyKXIZXPRLNNDQKS-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.77
Rot. Bonds8

About 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride

2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride (PubChem CID 2723941) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride
PubChem CID2723941
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C22H23NO2.ClH/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20;/h1-12,15H,13-14,16-17,23H2;1H
InChIKeyKXIZXPRLNNDQKS-UHFFFAOYSA-N
XLogP4.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride (CID 2723941) is 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is KXIZXPRLNNDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2.ClH/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20;/h1-12,15H,13-14,16-17,23H2;1H.
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride?
2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 2723941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).