[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine

C16H19NO3 — CID 103566172

IUPAC[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(OCCOc2ccccc2)c1
InChIInChI=1S/C16H19NO3/c1-18-15-9-13(12-17)10-16(11-15)20-8-7-19-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12,17H2,1H3
InChIKeyHPABZQRNBMVZNZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.61
Rot. Bonds7

About [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine

[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine (PubChem CID 103566172) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
PubChem CID103566172
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
SMILESCOc1cc(CN)cc(OCCOc2ccccc2)c1
InChIInChI=1S/C16H19NO3/c1-18-15-9-13(12-17)10-16(11-15)20-8-7-19-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12,17H2,1H3
InChIKeyHPABZQRNBMVZNZ-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-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053
[3-(2-butoxyethoxy)-5-methoxyphenyl]methanamine
CID 103566173
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
CID 103566056
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 103566148

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine?
The IUPAC name of [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine (CID 103566172) is [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine.
What is the SMILES notation for [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine?
The canonical SMILES for [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine is COc1cc(CN)cc(OCCOc2ccccc2)c1.
What is the InChIKey of [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine?
The InChIKey is HPABZQRNBMVZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-15-9-13(12-17)10-16(11-15)20-8-7-19-14-5-3-2-4-6-14/h2-6,9-11H,7-8,12,17H2,1H3.
What are the key properties of [3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine?
[3-methoxy-5-(2-phenoxyethoxy)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-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 103566172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).