2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline

C18H23NO2 — CID 102847288

IUPAC2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCCc1ccccc1NCc1cccc(COC)c1
InChIInChI=1S/C18H23NO2/c1-20-11-10-17-8-3-4-9-18(17)19-13-15-6-5-7-16(12-15)14-21-2/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyCWPOGSHTQMXIBX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.63
Rot. Bonds8

About 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline

2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline (PubChem CID 102847288) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
PubChem CID102847288
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCCc1ccccc1NCc1cccc(COC)c1
InChIInChI=1S/C18H23NO2/c1-20-11-10-17-8-3-4-9-18(17)19-13-15-6-5-7-16(12-15)14-21-2/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyCWPOGSHTQMXIBX-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 107686073
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
CID 102847298
N-[(3-ethoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 60874269
4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 81292705
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
CID 66417473
2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107803576
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline (CID 102847288) is 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline is COCCc1ccccc1NCc1cccc(COC)c1.
What is the InChIKey of 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The InChIKey is CWPOGSHTQMXIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-11-10-17-8-3-4-9-18(17)19-13-15-6-5-7-16(12-15)14-21-2/h3-9,12,19H,10-11,13-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline has a molecular weight of 285.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 102847288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).