N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine

C13H18N2 — CID 163386256

IUPACN,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine
SMILESCC1=CC=C2N=CC(CCN(C)C)=C2C1
InChIInChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,9H,6-8H2,1-3H3
InChIKeyRFPUKMSCYMBRET-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.55
Rot. Bonds3

About N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine

N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine (PubChem CID 163386256) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine
PubChem CID163386256
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine
SMILESCC1=CC=C2N=CC(CCN(C)C)=C2C1
InChIInChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,9H,6-8H2,1-3H3
InChIKeyRFPUKMSCYMBRET-UHFFFAOYSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine (CID 163386256) is N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine is CC1=CC=C2N=CC(CCN(C)C)=C2C1.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine?
The InChIKey is RFPUKMSCYMBRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-4-5-13-12(8-10)11(9-14-13)6-7-15(2)3/h4-5,9H,6-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-4H-indol-3-yl)ethanamine is sourced from PubChem (CID 163386256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).