N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine

C14H20N2 — CID 84622477

IUPACN-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine
SMILESCNCCc1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C14H20N2/c1-9-5-6-10(2)14-13(9)11(3)12(16-14)7-8-15-4/h5-6,15-16H,7-8H2,1-4H3
InChIKeyDDECEEUZEPIKCI-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.86
Rot. Bonds3

About N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine

N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine (PubChem CID 84622477) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine
PubChem CID84622477
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine
SMILESCNCCc1[nH]c2c(C)ccc(C)c2c1C
InChIInChI=1S/C14H20N2/c1-9-5-6-10(2)14-13(9)11(3)12(16-14)7-8-15-4/h5-6,15-16H,7-8H2,1-4H3
InChIKeyDDECEEUZEPIKCI-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3,4,7-trimethyl-1H-indole
CID 84629053
2-(3-bromo-4,7-dimethyl-1H-indol-2-yl)ethanamine
CID 84640405
1-(4,7-dichloro-3-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 83868253
3,4,7-trimethyl-1H-indole-2-carboxylate
CID 7219762
N,2,3,7-tetramethyl-1H-indol-4-amine
CID 118600283
N-ethyl-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanamine
CID 82495305
1-(4-chloro-2,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 83868286
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82495253
1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630576
3-(2,4,7-trimethyl-1H-indol-3-yl)propan-1-amine
CID 82393603
5-chloro-2-ethyl-3,8-dimethyl-1H-quinolin-4-one
CID 63561110
4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid
CID 175063966

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine (CID 84622477) is N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine is CNCCc1[nH]c2c(C)ccc(C)c2c1C.
What is the InChIKey of N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine?
The InChIKey is DDECEEUZEPIKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-5-6-10(2)14-13(9)11(3)12(16-14)7-8-15-4/h5-6,15-16H,7-8H2,1-4H3.
What are the key properties of N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine?
N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine has a molecular weight of 216.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,4,7-trimethyl-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 84622477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).