[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine

C11H17NO3 — CID 65364711

IUPAC[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
SMILESCCOCOc1ccc(CN)cc1OC
InChIInChI=1S/C11H17NO3/c1-3-14-8-15-10-5-4-9(7-12)6-11(10)13-2/h4-6H,3,7-8,12H2,1-2H3
InChIKeyIPDUFXLSGJYNFZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.53
Rot. Bonds6

About [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine

[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine (PubChem CID 65364711) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
PubChem CID65364711
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine
SMILESCCOCOc1ccc(CN)cc1OC
InChIInChI=1S/C11H17NO3/c1-3-14-8-15-10-5-4-9(7-12)6-11(10)13-2/h4-6H,3,7-8,12H2,1-2H3
InChIKeyIPDUFXLSGJYNFZ-UHFFFAOYSA-N
XLogP1.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(ethoxymethoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 65369500
[3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 22683713
[4-(3-fluoropropoxy)-3-methoxyphenyl]methanamine
CID 81106628
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 16776854
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[3-methoxy-4-(3-phenylpropoxy)phenyl]methanamine
CID 7139503
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-3-methoxyphenyl]methanamine
CID 64801160
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine (CID 65364711) is [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine is CCOCOc1ccc(CN)cc1OC.
What is the InChIKey of [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine?
The InChIKey is IPDUFXLSGJYNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-14-8-15-10-5-4-9(7-12)6-11(10)13-2/h4-6H,3,7-8,12H2,1-2H3.
What are the key properties of [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine?
[4-(ethoxymethoxy)-3-methoxyphenyl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethoxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 65364711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).