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

C20H27NO3 — CID 22680814

IUPAC2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCCc1ccc(OCCOc2c(CCN)cccc2OC)cc1
InChIInChI=1S/C20H27NO3/c1-3-5-16-8-10-18(11-9-16)23-14-15-24-20-17(12-13-21)6-4-7-19(20)22-2/h4,6-11H,3,5,12-15,21H2,1-2H3
InChIKeyXWVSMOMFTOXWFD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.61
Rot. Bonds10

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

2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine (PubChem CID 22680814) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
PubChem CID22680814
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
SMILESCCCc1ccc(OCCOc2c(CCN)cccc2OC)cc1
InChIInChI=1S/C20H27NO3/c1-3-5-16-8-10-18(11-9-16)23-14-15-24-20-17(12-13-21)6-4-7-19(20)22-2/h4,6-11H,3,5,12-15,21H2,1-2H3
InChIKeyXWVSMOMFTOXWFD-UHFFFAOYSA-N
XLogP3.61
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.61
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-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
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-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22687055
2-[4-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815247
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
1-(bromomethyl)-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 63534182

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine (CID 22680814) is 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine is CCCc1ccc(OCCOc2c(CCN)cccc2OC)cc1.
What is the InChIKey of 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
The InChIKey is XWVSMOMFTOXWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-5-16-8-10-18(11-9-16)23-14-15-24-20-17(12-13-21)6-4-7-19(20)22-2/h4,6-11H,3,5,12-15,21H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine?
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine has a molecular weight of 329.44 g/mol, XLogP of 3.61, 10 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-propylphenoxy)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 22680814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).