N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline

C18H23NO3 — CID 39425332

IUPACN-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
SMILESCOCCOc1c(CNc2ccccc2C)cccc1OC
InChIInChI=1S/C18H23NO3/c1-14-7-4-5-9-16(14)19-13-15-8-6-10-17(21-3)18(15)22-12-11-20-2/h4-10,19H,11-13H2,1-3H3
InChIKeyTTWGSGUALVHBAN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.64
Rot. Bonds8

About N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline

N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline (PubChem CID 39425332) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
PubChem CID39425332
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline
SMILESCOCCOc1c(CNc2ccccc2C)cccc1OC
InChIInChI=1S/C18H23NO3/c1-14-7-4-5-9-16(14)19-13-15-8-6-10-17(21-3)18(15)22-12-11-20-2/h4-10,19H,11-13H2,1-3H3
InChIKeyTTWGSGUALVHBAN-UHFFFAOYSA-N
XLogP3.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.64
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-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[(2-butoxy-3-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430192
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
4-[(2-ethoxy-3-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 17059596
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline?
The IUPAC name of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline (CID 39425332) is N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline.
What is the SMILES notation for N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline?
The canonical SMILES for N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline is COCCOc1c(CNc2ccccc2C)cccc1OC.
What is the InChIKey of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline?
The InChIKey is TTWGSGUALVHBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-14-7-4-5-9-16(14)19-13-15-8-6-10-17(21-3)18(15)22-12-11-20-2/h4-10,19H,11-13H2,1-3H3.
What are the key properties of N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline?
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline has a molecular weight of 301.39 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylaniline is sourced from PubChem (CID 39425332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).