[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine

C16H19NO3 — CID 20989430

IUPAC[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(OCCOc2cccc(CN)c2)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-5-7-15(8-6-14)19-9-10-20-16-4-2-3-13(11-16)12-17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyKCVLVYSPAOPLAN-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.61
Rot. Bonds7

About [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine

[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20989430) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
PubChem CID20989430
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
SMILESCOc1ccc(OCCOc2cccc(CN)c2)cc1
InChIInChI=1S/C16H19NO3/c1-18-14-5-7-15(8-6-14)19-9-10-20-16-4-2-3-13(11-16)12-17/h2-8,11H,9-10,12,17H2,1H3
InChIKeyKCVLVYSPAOPLAN-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
CID 103566172
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
[3-[3-(4-methylsulfanylphenoxy)propoxy]phenyl]methanamine
CID 63649819
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine (CID 20989430) is [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine is COc1ccc(OCCOc2cccc(CN)c2)cc1.
What is the InChIKey of [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is KCVLVYSPAOPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-5-7-15(8-6-14)19-9-10-20-16-4-2-3-13(11-16)12-17/h2-8,11H,9-10,12,17H2,1H3.
What are the key properties of [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine?
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20989430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).