1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine

C14H23NO3 — CID 106449857

IUPAC1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
SMILESCCCOCCOc1c(CNC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-4-8-17-9-10-18-14-12(11-15-2)6-5-7-13(14)16-3/h5-7,15H,4,8-11H2,1-3H3
InChIKeyDLEUTEANIUYHOS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine

1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine (PubChem CID 106449857) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
PubChem CID106449857
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
SMILESCCCOCCOc1c(CNC)cccc1OC
InChIInChI=1S/C14H23NO3/c1-4-8-17-9-10-18-14-12(11-15-2)6-5-7-13(14)16-3/h5-7,15H,4,8-11H2,1-3H3
InChIKeyDLEUTEANIUYHOS-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
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

1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
2-methoxy-N-[(3-methoxy-2-propoxyphenyl)methyl]ethanamine
CID 39356672
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
1-[2-methoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60887437
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
N-[[3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449862
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine (CID 106449857) is 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine is CCCOCCOc1c(CNC)cccc1OC.
What is the InChIKey of 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine?
The InChIKey is DLEUTEANIUYHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-8-17-9-10-18-14-12(11-15-2)6-5-7-13(14)16-3/h5-7,15H,4,8-11H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine?
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106449857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).