2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline

C16H19NO3 — CID 43366089

IUPAC2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
SMILESCOc1cccc(COCCOc2ccccc2N)c1
InChIInChI=1S/C16H19NO3/c1-18-14-6-4-5-13(11-14)12-19-9-10-20-16-8-3-2-7-15(16)17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyCWNBFWFPXBPSRM-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.87
Rot. Bonds7

About 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline

2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline (PubChem CID 43366089) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
PubChem CID43366089
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline
SMILESCOc1cccc(COCCOc2ccccc2N)c1
InChIInChI=1S/C16H19NO3/c1-18-14-6-4-5-13(11-14)12-19-9-10-20-16-8-3-2-7-15(16)17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyCWNBFWFPXBPSRM-UHFFFAOYSA-N
XLogP2.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenylmethoxyethoxy)ethoxy]aniline
CID 89308088
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
1-(2-aminophenyl)-2-[(3-methoxyphenyl)methoxy]ethanol
CID 62268099
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
2-[2-[2-[(3-methoxyphenyl)methoxy]ethoxy]ethoxymethyl]-1-sulfidoazirine
CID 168975952
1-(9-bromononoxymethyl)-3-methoxybenzene
CID 105343271

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline (CID 43366089) is 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline is COc1cccc(COCCOc2ccccc2N)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline?
The InChIKey is CWNBFWFPXBPSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-6-4-5-13(11-14)12-19-9-10-20-16-8-3-2-7-15(16)17/h2-8,11H,9-10,12,17H2,1H3.
What are the key properties of 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline?
2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline has a molecular weight of 273.33 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methoxy]ethoxy]aniline is sourced from PubChem (CID 43366089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).