3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline

C18H20N2O — CID 107234938

IUPAC3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCOCc1cccc(NCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C18H20N2O/c1-20-12-15(17-8-3-4-9-18(17)20)11-19-16-7-5-6-14(10-16)13-21-2/h3-10,12,19H,11,13H2,1-2H3
InChIKeyNHHNYRIYKPAJRY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.94
Rot. Bonds5

About 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline

3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline (PubChem CID 107234938) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
PubChem CID107234938
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
SMILESCOCc1cccc(NCc2cn(C)c3ccccc23)c1
InChIInChI=1S/C18H20N2O/c1-20-12-15(17-8-3-4-9-18(17)20)11-19-16-7-5-6-14(10-16)13-21-2/h3-10,12,19H,11,13H2,1-2H3
InChIKeyNHHNYRIYKPAJRY-UHFFFAOYSA-N
XLogP3.94
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115748316
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(methoxymethyl)-1-methylindole
CID 18711466
4-fluoro-3-methoxy-N-[(1-methylindol-3-yl)methyl]aniline
CID 107236329
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
2-methyl-4-[(1-methylindol-3-yl)methylamino]phenol
CID 107236019
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 112549349
4-bromo-3,5-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107571918
N-[(1-ethylpyrazol-4-yl)methyl]-3-(methoxymethyl)aniline
CID 62126525
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline (CID 107234938) is 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline is COCc1cccc(NCc2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline?
The InChIKey is NHHNYRIYKPAJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20-12-15(17-8-3-4-9-18(17)20)11-19-16-7-5-6-14(10-16)13-21-2/h3-10,12,19H,11,13H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline?
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline has a molecular weight of 280.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline is sourced from PubChem (CID 107234938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).