3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine

C20H27NO3 — CID 2298387

IUPAC3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
SMILESCOCCCNCCOCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C20H27NO3/c1-22-14-7-12-21-13-15-23-16-17-24-20-11-6-5-10-19(20)18-8-3-2-4-9-18/h2-6,8-11,21H,7,12-17H2,1H3
InChIKeyZSCIEDIHFGRRIK-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.38
Rot. Bonds12

About 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine

3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 2298387) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
PubChem CID2298387
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
SMILESCOCCCNCCOCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C20H27NO3/c1-22-14-7-12-21-13-15-23-16-17-24-20-11-6-5-10-19(20)18-8-3-2-4-9-18/h2-6,8-11,21H,7,12-17H2,1H3
InChIKeyZSCIEDIHFGRRIK-UHFFFAOYSA-N
XLogP3.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.38
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-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
N-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2276677
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
(2S)-1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
CID 2233000
2-[2-(3-methoxypropylamino)ethoxy]benzoic acid
CID 103237137

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine (CID 2298387) is 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine is COCCCNCCOCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is ZSCIEDIHFGRRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-22-14-7-12-21-13-15-23-16-17-24-20-11-6-5-10-19(20)18-8-3-2-4-9-18/h2-6,8-11,21H,7,12-17H2,1H3.
What are the key properties of 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine?
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.38, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 2298387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).