[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine

C17H21NO3 — CID 63986556

IUPAC[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
SMILESCOCc1cccc(OCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21NO3/c1-19-13-15-3-2-4-17(11-15)21-10-9-20-16-7-5-14(12-18)6-8-16/h2-8,11H,9-10,12-13,18H2,1H3
InChIKeyZXCHOSVMWBAJTK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.75
Rot. Bonds8

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

[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine (PubChem CID 63986556) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
PubChem CID63986556
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
SMILESCOCc1cccc(OCCOc2ccc(CN)cc2)c1
InChIInChI=1S/C17H21NO3/c1-19-13-15-3-2-4-17(11-15)21-10-9-20-16-7-5-14(12-18)6-8-16/h2-8,11H,9-10,12-13,18H2,1H3
InChIKeyZXCHOSVMWBAJTK-UHFFFAOYSA-N
XLogP2.75
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.75
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

[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
[3-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]methanamine
CID 43254310
1-bromo-3-[2-[3-(methoxymethyl)phenoxy]ethoxy]benzene
CID 63987057
[4-[3-(3-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254285
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine?
The IUPAC name of [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine (CID 63986556) is [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine.
What is the SMILES notation for [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine?
The canonical SMILES for [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine is COCc1cccc(OCCOc2ccc(CN)cc2)c1.
What is the InChIKey of [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine?
The InChIKey is ZXCHOSVMWBAJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-19-13-15-3-2-4-17(11-15)21-10-9-20-16-7-5-14(12-18)6-8-16/h2-8,11H,9-10,12-13,18H2,1H3.
What are the key properties of [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine?
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine is sourced from PubChem (CID 63986556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).