1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine

C15H25NO3 — CID 143655445

IUPAC1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine
SMILESCOCCOCCOc1cccc(CN(C)C)c1C
InChIInChI=1S/C15H25NO3/c1-13-14(12-16(2)3)6-5-7-15(13)19-11-10-18-9-8-17-4/h5-7H,8-12H2,1-4H3
InChIKeyWRABZMSIIVMMJB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds9

About 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine

1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine (PubChem CID 143655445) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine
PubChem CID143655445
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine
SMILESCOCCOCCOc1cccc(CN(C)C)c1C
InChIInChI=1S/C15H25NO3/c1-13-14(12-16(2)3)6-5-7-15(13)19-11-10-18-9-8-17-4/h5-7H,8-12H2,1-4H3
InChIKeyWRABZMSIIVMMJB-UHFFFAOYSA-N
XLogP2.10
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene;ethane
CID 142063314
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
CID 131700786
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine (CID 143655445) is 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine is COCCOCCOc1cccc(CN(C)C)c1C.
What is the InChIKey of 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine?
The InChIKey is WRABZMSIIVMMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13-14(12-16(2)3)6-5-7-15(13)19-11-10-18-9-8-17-4/h5-7H,8-12H2,1-4H3.
What are the key properties of 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine?
1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 143655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).