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

C23H25NO3 — CID 22680824

IUPAC2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H25NO3/c1-25-22-9-5-8-20(14-15-24)23(22)27-17-16-26-21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13H,14-17,24H2,1H3
InChIKeyODYVRSIHHRPOQV-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.32
Rot. Bonds9

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

2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22680824) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22680824
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H25NO3/c1-25-22-9-5-8-20(14-15-24)23(22)27-17-16-26-21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13H,14-17,24H2,1H3
InChIKeyODYVRSIHHRPOQV-UHFFFAOYSA-N
XLogP4.32
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
1-(bromomethyl)-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 63534182
2-[3-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 62937844
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 62627529

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine (CID 22680824) is 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine is COc1cccc(CCN)c1OCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is ODYVRSIHHRPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-25-22-9-5-8-20(14-15-24)23(22)27-17-16-26-21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13H,14-17,24H2,1H3.
What are the key properties of 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 363.46 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22680824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).