2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine

C21H23NO3 — CID 20984431

IUPAC2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H23NO3/c1-23-19-8-7-17(10-11-22)21(15-19)25-13-12-24-20-9-6-16-4-2-3-5-18(16)14-20/h2-9,14-15H,10-13,22H2,1H3
InChIKeyWXWHDRWJKVOPDL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.81
Rot. Bonds8

About 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine

2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine (PubChem CID 20984431) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
PubChem CID20984431
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine
SMILESCOc1ccc(CCN)c(OCCOc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H23NO3/c1-23-19-8-7-17(10-11-22)21(15-19)25-13-12-24-20-9-6-16-4-2-3-5-18(16)14-20/h2-9,14-15H,10-13,22H2,1H3
InChIKeyWXWHDRWJKVOPDL-UHFFFAOYSA-N
XLogP3.81
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.81
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-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
2-[2-(naphthalen-2-yloxymethyl)phenyl]ethanamine
CID 115464887
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 61268017
[5-chloro-2-(2-naphthalen-2-yloxyethoxy)phenyl]methanamine
CID 22687111
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanamine
CID 66394870
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine (CID 20984431) is 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine is COc1ccc(CCN)c(OCCOc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine?
The InChIKey is WXWHDRWJKVOPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-23-19-8-7-17(10-11-22)21(15-19)25-13-12-24-20-9-6-16-4-2-3-5-18(16)14-20/h2-9,14-15H,10-13,22H2,1H3.
What are the key properties of 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine?
2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine has a molecular weight of 337.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-(2-naphthalen-2-yloxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 20984431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).