N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine

C16H20N2 — CID 104736901

IUPACN-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1Cc1cccnc1
InChIInChI=1S/C16H20N2/c1-3-18-13(2)16-9-5-4-8-15(16)11-14-7-6-10-17-12-14/h4-10,12-13,18H,3,11H2,1-2H3
InChIKeyCHIZLXVVWKTVLD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine

N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine (PubChem CID 104736901) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
PubChem CID104736901
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine
SMILESCCNC(C)c1ccccc1Cc1cccnc1
InChIInChI=1S/C16H20N2/c1-3-18-13(2)16-9-5-4-8-15(16)11-14-7-6-10-17-12-14/h4-10,12-13,18H,3,11H2,1-2H3
InChIKeyCHIZLXVVWKTVLD-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770321
N-ethyl-1-(2-ethylphenyl)-2-pyridin-3-ylethanamine
CID 105034649
N-ethyl-1-phenyl-5-pyridin-3-ylpentan-3-amine
CID 105094322
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 75495399
1-(2-chlorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 55086568
N-ethyl-6-methyl-1-pyridin-3-ylheptan-3-amine
CID 105127205
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine (CID 104736901) is N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine is CCNC(C)c1ccccc1Cc1cccnc1.
What is the InChIKey of N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine?
The InChIKey is CHIZLXVVWKTVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-18-13(2)16-9-5-4-8-15(16)11-14-7-6-10-17-12-14/h4-10,12-13,18H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine?
N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(pyridin-3-ylmethyl)phenyl]ethanamine is sourced from PubChem (CID 104736901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).