2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline

C18H20N2 — CID 143759207

IUPAC2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline
SMILESCc1ccccc1NCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C18H20N2/c1-13-6-3-4-9-17(13)19-11-10-15-12-20-18-14(2)7-5-8-16(15)18/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyZRJXWMBZEKBVRD-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.44
Rot. Bonds4

About 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline

2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline (PubChem CID 143759207) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline
PubChem CID143759207
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline
SMILESCc1ccccc1NCCc1c[nH]c2c(C)cccc12
InChIInChI=1S/C18H20N2/c1-13-6-3-4-9-17(13)19-11-10-15-12-20-18-14(2)7-5-8-16(15)18/h3-9,12,19-20H,10-11H2,1-2H3
InChIKeyZRJXWMBZEKBVRD-UHFFFAOYSA-N
XLogP4.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59493253
ethane;2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 143759213
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
1-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971198
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
CID 170339447
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline (CID 143759207) is 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline is Cc1ccccc1NCCc1c[nH]c2c(C)cccc12.
What is the InChIKey of 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline?
The InChIKey is ZRJXWMBZEKBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-6-3-4-9-17(13)19-11-10-15-12-20-18-14(2)7-5-8-16(15)18/h3-9,12,19-20H,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline?
2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline has a molecular weight of 264.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]aniline is sourced from PubChem (CID 143759207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).