N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine

C14H20N2 — CID 56594257

IUPACN-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine
SMILESCNCCc1c(C(C)C)[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-10(2)14-12(8-9-15-3)11-6-4-5-7-13(11)16-14/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyKXKFPHGYIXDYHJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.05
Rot. Bonds4

About N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine

N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine (PubChem CID 56594257) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine
PubChem CID56594257
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine
SMILESCNCCc1c(C(C)C)[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-10(2)14-12(8-9-15-3)11-6-4-5-7-13(11)16-14/h4-7,10,15-16H,8-9H2,1-3H3
InChIKeyKXKFPHGYIXDYHJ-UHFFFAOYSA-N
XLogP3.05
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine (CID 56594257) is N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine is CNCCc1c(C(C)C)[nH]c2ccccc12.
What is the InChIKey of N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine?
The InChIKey is KXKFPHGYIXDYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)14-12(8-9-15-3)11-6-4-5-7-13(11)16-14/h4-7,10,15-16H,8-9H2,1-3H3.
What are the key properties of N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine?
N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine has a molecular weight of 216.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-yl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 56594257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).