N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine

C18H21N3 — CID 84760220

IUPACN-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
SMILESCCNCc1nc(CCc2ccccc2)n2ccccc12
InChIInChI=1S/C18H21N3/c1-2-19-14-16-17-10-6-7-13-21(17)18(20-16)12-11-15-8-4-3-5-9-15/h3-10,13,19H,2,11-12,14H2,1H3
InChIKeyCKQVWOHPUMQPCR-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.23
Rot. Bonds6

About N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine

N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine (PubChem CID 84760220) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
PubChem CID84760220
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
SMILESCCNCc1nc(CCc2ccccc2)n2ccccc12
InChIInChI=1S/C18H21N3/c1-2-19-14-16-17-10-6-7-13-21(17)18(20-16)12-11-15-8-4-3-5-9-15/h3-10,13,19H,2,11-12,14H2,1H3
InChIKeyCKQVWOHPUMQPCR-UHFFFAOYSA-N
XLogP3.23
TPSA29.33 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(furan-2-yl)ethyl]imidazo[1,5-a]pyridin-1-yl]-N-methylmethanamine
CID 28797139
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466
2-(3-ethylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797830
N-[(8-fluoro-3-propylimidazo[1,5-a]pyridin-1-yl)methyl]ethanamine
CID 112552594
N-[[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
CID 84760214
N-[(3-ethyl-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]ethanamine
CID 112552362
N-methyl-1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28797001
3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde
CID 28752029
N-benzylethanamine;tris(yttrium)
CID 158198357
1-phenyl-3-[2-(1-phenylimidazo[1,5-a]pyridin-3-yl)ethyl]imidazo[1,5-a]pyridine
CID 132506858
N-(imidazo[1,5-a]pyridin-1-ylmethyl)ethanamine
CID 156748875
[3-[2-(2-methylphenyl)ethyl]imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28752235

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine (CID 84760220) is N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine is CCNCc1nc(CCc2ccccc2)n2ccccc12.
What is the InChIKey of N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine?
The InChIKey is CKQVWOHPUMQPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-19-14-16-17-10-6-7-13-21(17)18(20-16)12-11-15-8-4-3-5-9-15/h3-10,13,19H,2,11-12,14H2,1H3.
What are the key properties of N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine?
N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-phenylethyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine is sourced from PubChem (CID 84760220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).