N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine

C14H20N2 — CID 65335151

IUPACN-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine
SMILESCCNCc1c(C)[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C14H20N2/c1-5-15-8-12-11(4)16-13-7-9(2)6-10(3)14(12)13/h6-7,15-16H,5,8H2,1-4H3
InChIKeyBQTMHDLBGKCLCK-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.20
Rot. Bonds3

About N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine

N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine (PubChem CID 65335151) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine
PubChem CID65335151
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine
SMILESCCNCc1c(C)[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C14H20N2/c1-5-15-8-12-11(4)16-13-7-9(2)6-10(3)14(12)13/h6-7,15-16H,5,8H2,1-4H3
InChIKeyBQTMHDLBGKCLCK-UHFFFAOYSA-N
XLogP3.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,4,6-tetramethyl-1H-indole-3-carboxamide
CID 65335343
3-(diethylaminomethyl)-2,5,7-trimethyl-1H-quinolin-4-one
CID 1178671
(2-chloro-4,6-dimethyl-1H-indol-3-yl)methanol
CID 82269123
3-ethyl-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 84622568
3-ethyl-4-hydroxy-5,7-dimethyl-1H-quinolin-2-one
CID 54725926
2-(4,6-dimethyl-2-propan-2-yl-1H-indol-3-yl)-N-methylethanamine
CID 84741686
N-[(2,7-dimethyl-1H-indol-3-yl)methyl]ethanamine
CID 65335557
3-[[(2-methoxyacetyl)amino]methyl]-4,6-dimethyl-1H-indole-2-carboxylic acid
CID 82214123
1-(2-ethyl-4,6-dimethyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 107431889
N-[(2,5,7-trimethylquinolin-4-yl)methyl]ethanamine
CID 82448602
2-[4,6-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3967838
ethyl 3-formyl-4,6-dimethyl-1H-indole-2-carboxylate
CID 3301707

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine (CID 65335151) is N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine is CCNCc1c(C)[nH]c2cc(C)cc(C)c12.
What is the InChIKey of N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine?
The InChIKey is BQTMHDLBGKCLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-5-15-8-12-11(4)16-13-7-9(2)6-10(3)14(12)13/h6-7,15-16H,5,8H2,1-4H3.
What are the key properties of N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine?
N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,6-trimethyl-1H-indol-3-yl)methyl]ethanamine is sourced from PubChem (CID 65335151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).