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

C16H22N2O — CID 62473668

IUPAC2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCOCc1ccccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16-8-6-5-7-14(16)11-19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyVTRTUTARYUDYOT-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.40
Rot. Bonds5

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

2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (PubChem CID 62473668) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
PubChem CID62473668
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
SMILESCOCc1ccccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16-8-6-5-7-14(16)11-19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyVTRTUTARYUDYOT-UHFFFAOYSA-N
XLogP3.40
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474218
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
3-chloro-2-fluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474567
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
4-fluoro-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55080855
2-methyl-3-nitro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62472587
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline (CID 62473668) is 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is COCc1ccccc1NCc1cc(C)n(C)c1C.
What is the InChIKey of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
The InChIKey is VTRTUTARYUDYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-15(13(2)18(12)3)10-17-16-8-6-5-7-14(16)11-19-4/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline?
2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline has a molecular weight of 258.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 62473668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).