1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine

C16H27NO3 — CID 61484059

IUPAC1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOCCC(C)C)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-13(2)7-8-19-9-10-20-15-6-5-14(12-17-3)11-16(15)18-4/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyRJMARIBDONNVAQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.86
Rot. Bonds10

About 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine

1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 61484059) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
PubChem CID61484059
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCOCCC(C)C)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-13(2)7-8-19-9-10-20-15-6-5-14(12-17-3)11-16(15)18-4/h5-6,11,13,17H,7-10,12H2,1-4H3
InChIKeyRJMARIBDONNVAQ-UHFFFAOYSA-N
XLogP2.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.86
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

N-[[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 61484060
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
1-[2-methoxy-4-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881863
[3-methoxy-4-(3-methylbutoxy)phenyl]methanethiol
CID 123919756
N-[[3-methoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449780
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
N-[[4-methoxy-3-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449790
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 107655968

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine (CID 61484059) is 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCOCCC(C)C)c(OC)c1.
What is the InChIKey of 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is RJMARIBDONNVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)7-8-19-9-10-20-15-6-5-14(12-17-3)11-16(15)18-4/h5-6,11,13,17H,7-10,12H2,1-4H3.
What are the key properties of 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine?
1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-[2-(3-methylbutoxy)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 61484059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).