2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine

C13H21NO4 — CID 65364721

IUPAC2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OC)c(OCOC)c1
InChIInChI=1S/C13H21NO4/c1-15-7-6-14-9-11-4-5-12(17-3)13(8-11)18-10-16-2/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyHFBCUNHPCYVBRC-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds9

About 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine (PubChem CID 65364721) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
PubChem CID65364721
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OC)c(OCOC)c1
InChIInChI=1S/C13H21NO4/c1-15-7-6-14-9-11-4-5-12(17-3)13(8-11)18-10-16-2/h4-5,8,14H,6-7,9-10H2,1-3H3
InChIKeyHFBCUNHPCYVBRC-UHFFFAOYSA-N
XLogP1.41
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 55147209
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 132843684
2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 63057307
N-[(4-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methoxyethanamine
CID 63056072
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine (CID 65364721) is 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine is COCCNCc1ccc(OC)c(OCOC)c1.
What is the InChIKey of 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine?
The InChIKey is HFBCUNHPCYVBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-15-7-6-14-9-11-4-5-12(17-3)13(8-11)18-10-16-2/h4-5,8,14H,6-7,9-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine has a molecular weight of 255.31 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 65364721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).