2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine

C21H21NO2 — CID 68544414

IUPAC2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2ccc(CCN)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H21NO2/c1-23-21-12-11-19(15-20(21)17-5-3-2-4-6-17)24-18-9-7-16(8-10-18)13-14-22/h2-12,15H,13-14,22H2,1H3
InChIKeyLYQXQJKTRNQEPN-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.66
Rot. Bonds6

About 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine

2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine (PubChem CID 68544414) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
PubChem CID68544414
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine
SMILESCOc1ccc(Oc2ccc(CCN)cc2)cc1-c1ccccc1
InChIInChI=1S/C21H21NO2/c1-23-21-12-11-19(15-20(21)17-5-3-2-4-6-17)24-18-9-7-16(8-10-18)13-14-22/h2-12,15H,13-14,22H2,1H3
InChIKeyLYQXQJKTRNQEPN-UHFFFAOYSA-N
XLogP4.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methoxyphenoxy)phenyl]ethanamine
CID 20986924
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815247
2-(4-methoxy-3-phenylphenyl)ethanol
CID 117328990
O-[2-(4-methoxy-3-phenylphenyl)ethyl]hydroxylamine
CID 117360142
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
3,5-dichloro-4-(4-methoxy-3-phenylphenoxy)aniline
CID 68750908
4-(bromomethyl)-1-methoxy-2-phenylbenzene
CID 143810171
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
2-[3-(3,5-dimethylphenyl)-4-methoxyphenyl]ethanamine
CID 82120363
2-(3-phenyl-4-propoxyphenyl)ethanamine
CID 170888303
1,4-bis(4-methylphenoxy)-2-phenylbenzene;ethane
CID 144542678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine (CID 68544414) is 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine is COc1ccc(Oc2ccc(CCN)cc2)cc1-c1ccccc1.
What is the InChIKey of 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine?
The InChIKey is LYQXQJKTRNQEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-21-12-11-19(15-20(21)17-5-3-2-4-6-17)24-18-9-7-16(8-10-18)13-14-22/h2-12,15H,13-14,22H2,1H3.
What are the key properties of 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine?
2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine has a molecular weight of 319.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxy-3-phenylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 68544414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).