N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine

C18H21N3 — CID 66409305

IUPACN-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CCc2ccccn2)c2ccccc12
InChIInChI=1S/C18H21N3/c1-2-19-13-15-14-21(18-9-4-3-8-17(15)18)12-10-16-7-5-6-11-20-16/h3-9,11,14,19H,2,10,12-13H2,1H3
InChIKeyVOLUVVYSAGPRFH-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.39
Rot. Bonds6

About N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine

N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine (PubChem CID 66409305) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
PubChem CID66409305
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CCc2ccccn2)c2ccccc12
InChIInChI=1S/C18H21N3/c1-2-19-13-15-14-21(18-9-4-3-8-17(15)18)12-10-16-7-5-6-11-20-16/h3-9,11,14,19H,2,10,12-13H2,1H3
InChIKeyVOLUVVYSAGPRFH-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
2-[3-[(pyridin-2-ylmethylamino)methyl]indol-1-yl]acetic acid
CID 102535957
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
3-[1-(2-methoxyethyl)indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 71701153
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
N-[[1-[(3-methylphenyl)methyl]indol-3-yl]methyl]-1-pyridin-2-ylmethanamine
CID 124799232

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine (CID 66409305) is N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine is CCNCc1cn(CCc2ccccn2)c2ccccc12.
What is the InChIKey of N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine?
The InChIKey is VOLUVVYSAGPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-19-13-15-14-21(18-9-4-3-8-17(15)18)12-10-16-7-5-6-11-20-16/h3-9,11,14,19H,2,10,12-13H2,1H3.
What are the key properties of N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine?
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66409305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).