1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine

C17H19N3 — CID 115212085

IUPAC1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine
SMILESCNc1cccc(CNc2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-18-14-7-5-6-13(10-14)11-19-16-12-20(2)17-9-4-3-8-15(16)17/h3-10,12,18-19H,11H2,1-2H3
InChIKeyJGXSYNPBZNLUHD-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.83
Rot. Bonds4

About 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine

1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine (PubChem CID 115212085) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine
PubChem CID115212085
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine
SMILESCNc1cccc(CNc2cn(C)c3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-18-14-7-5-6-13(10-14)11-19-16-12-20(2)17-9-4-3-8-15(16)17/h3-10,12,18-19H,11H2,1-2H3
InChIKeyJGXSYNPBZNLUHD-UHFFFAOYSA-N
XLogP3.83
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-dimethyl-3-N-(1-methylindol-3-yl)benzene-1,3-diamine
CID 117041066
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
N-(methoxymethyl)-1-methylindol-3-amine
CID 115258225
[3-(methylamino)phenyl]-(1-methylindol-3-yl)methanone
CID 116917320
1-(3-chlorophenyl)-3-(1-methylindol-3-yl)urea
CID 40519573
2,3,5,6-tetramethyl-N-[[3-(methylamino)phenyl]methyl]aniline
CID 115212078
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
CID 115212181
2,4-dimethyl-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234529
3-(bromomethyl)-N-methylaniline
CID 147410245
1-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]indole-3-carboxamide
CID 34640881
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
4-methyl-1-N-[(1-methylindol-3-yl)methyl]benzene-1,2-diamine
CID 115125054

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine?
The IUPAC name of 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine (CID 115212085) is 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine.
What is the SMILES notation for 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine?
The canonical SMILES for 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine is CNc1cccc(CNc2cn(C)c3ccccc23)c1.
What is the InChIKey of 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine?
The InChIKey is JGXSYNPBZNLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-14-7-5-6-13(10-14)11-19-16-12-20(2)17-9-4-3-8-15(16)17/h3-10,12,18-19H,11H2,1-2H3.
What are the key properties of 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine?
1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine has a molecular weight of 265.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-(methylamino)phenyl]methyl]indol-3-amine is sourced from PubChem (CID 115212085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).