2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine

C22H23NO2 — CID 113314859

IUPAC2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c23-15-14-19-8-4-5-9-20(19)17-25-22-12-10-21(11-13-22)24-16-18-6-2-1-3-7-18/h1-13H,14-17,23H2
InChIKeyXPCGHVDREKLFAJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.35
Rot. Bonds8

About 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine

2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine (PubChem CID 113314859) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
PubChem CID113314859
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
SMILESNCCc1ccccc1COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c23-15-14-19-8-4-5-9-20(19)17-25-22-12-10-21(11-13-22)24-16-18-6-2-1-3-7-18/h1-13H,14-17,23H2
InChIKeyXPCGHVDREKLFAJ-UHFFFAOYSA-N
XLogP4.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
2-[2-[(4-butylphenoxy)methyl]phenyl]ethanamine
CID 115493361
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
4-phenylmethoxyaniline
CID 159966727
8-(4-phenylmethoxyphenoxy)octan-1-amine
CID 16720538
2-[4-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 16775885
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
ethane;molecular hydrogen;4-phenylmethoxyaniline
CID 142075027
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-[2-(4-phenylmethoxyphenoxy)ethyl]phenol
CID 71616730

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine (CID 113314859) is 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine is NCCc1ccccc1COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine?
The InChIKey is XPCGHVDREKLFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c23-15-14-19-8-4-5-9-20(19)17-25-22-12-10-21(11-13-22)24-16-18-6-2-1-3-7-18/h1-13H,14-17,23H2.
What are the key properties of 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine?
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine has a molecular weight of 333.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 113314859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).