3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

C17H24N2O2 — CID 62473686

IUPAC3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCOCCOc1cccc(NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C17H24N2O2/c1-13-10-15(14(2)19(13)3)12-18-16-6-5-7-17(11-16)21-9-8-20-4/h5-7,10-11,18H,8-9,12H2,1-4H3
InChIKeyFNZZABLIMLANMX-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.28
Rot. Bonds7

About 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline

3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62473686) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62473686
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCOCCOc1cccc(NCc2cc(C)n(C)c2C)c1
InChIInChI=1S/C17H24N2O2/c1-13-10-15(14(2)19(13)3)12-18-16-6-5-7-17(11-16)21-9-8-20-4/h5-7,10-11,18H,8-9,12H2,1-4H3
InChIKeyFNZZABLIMLANMX-UHFFFAOYSA-N
XLogP3.28
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.28
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

3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 60935772
N-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762008
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
CID 115951590
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
3-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)aniline
CID 54803133
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 87033232
N-(2-methoxyethoxy)-1-(1,2,5-trimethylpyrrol-3-yl)methanamine
CID 82711962
3-(2-methoxyethoxy)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60936529

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62473686) is 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is COCCOc1cccc(NCc2cc(C)n(C)c2C)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is FNZZABLIMLANMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-10-15(14(2)19(13)3)12-18-16-6-5-7-17(11-16)21-9-8-20-4/h5-7,10-11,18H,8-9,12H2,1-4H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62473686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).