2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine

C17H21N3O — CID 80650008

IUPAC2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine
SMILESCCOc1ncccc1NCc1cccc2c1NCCC2
InChIInChI=1S/C17H21N3O/c1-2-21-17-15(9-5-11-19-17)20-12-14-7-3-6-13-8-4-10-18-16(13)14/h3,5-7,9,11,18,20H,2,4,8,10,12H2,1H3
InChIKeyHJQNUBNBXLAQJT-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.45
Rot. Bonds5

About 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine

2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine (PubChem CID 80650008) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine
PubChem CID80650008
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine
SMILESCCOc1ncccc1NCc1cccc2c1NCCC2
InChIInChI=1S/C17H21N3O/c1-2-21-17-15(9-5-11-19-17)20-12-14-7-3-6-13-8-4-10-18-16(13)14/h3,5-7,9,11,18,20H,2,4,8,10,12H2,1H3
InChIKeyHJQNUBNBXLAQJT-UHFFFAOYSA-N
XLogP3.45
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649456
2,3-difluoro-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649508
2-ethoxy-N-(naphthalen-1-ylmethyl)pyridin-3-amine
CID 43706191
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
2-ethoxy-N-(1H-indol-7-ylmethyl)pyridin-3-amine
CID 103823702
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
4-propyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649779
2-ethyl-6-methyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)aniline
CID 80649030
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)benzonitrile
CID 80649907
(1R)-1-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81401362
methyl N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)carbamate
CID 81423829

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine (CID 80650008) is 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine is CCOc1ncccc1NCc1cccc2c1NCCC2.
What is the InChIKey of 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine?
The InChIKey is HJQNUBNBXLAQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-21-17-15(9-5-11-19-17)20-12-14-7-3-6-13-8-4-10-18-16(13)14/h3,5-7,9,11,18,20H,2,4,8,10,12H2,1H3.
What are the key properties of 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine?
2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 80650008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).