N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine

C13H22N2O — CID 105165101

IUPACN-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccnc1C
InChIInChI=1S/C13H22N2O/c1-4-8-15-13(10-16-5-2)12-7-6-9-14-11(12)3/h6-7,9,13,15H,4-5,8,10H2,1-3H3
InChIKeyFZYJTTKRLKQLNJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.47
Rot. Bonds7

About N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine

N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 105165101) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID105165101
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(COCC)c1cccnc1C
InChIInChI=1S/C13H22N2O/c1-4-8-15-13(10-16-5-2)12-7-6-9-14-11(12)3/h6-7,9,13,15H,4-5,8,10H2,1-3H3
InChIKeyFZYJTTKRLKQLNJ-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-[2-ethoxy-1-(2-iodo-3-methylphenyl)ethyl]propan-1-amine
CID 114030204
N-[2-(3,4-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105136518
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
N-[(4-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105095268
N-(2-methoxy-1-quinolin-8-ylethyl)propan-1-amine
CID 81231808
N-[2-(5-ethyl-2-pyridinyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105168926
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105159491
N-[(3,5-dimethylphenyl)-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105096996
N-[2-(5-chloro-2-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103053112
N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 105165101) is N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is CCCNC(COCC)c1cccnc1C.
What is the InChIKey of N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is FZYJTTKRLKQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-8-15-13(10-16-5-2)12-7-6-9-14-11(12)3/h6-7,9,13,15H,4-5,8,10H2,1-3H3.
What are the key properties of N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine?
N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105165101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).