N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine

C13H21F3N4O — CID 64856958

IUPACN-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine
SMILESCOCCN(C)CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C13H21F3N4O/c1-19(7-8-21-2)5-6-20-11-3-4-17-9-10(11)18-12(20)13(14,15)16/h17H,3-9H2,1-2H3
InChIKeyYCSINKUULZHWQF-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.13
Rot. Bonds6

About N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine

N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine (PubChem CID 64856958) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine
PubChem CID64856958
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine
SMILESCOCCN(C)CCn1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C13H21F3N4O/c1-19(7-8-21-2)5-6-20-11-3-4-17-9-10(11)18-12(20)13(14,15)16/h17H,3-9H2,1-2H3
InChIKeyYCSINKUULZHWQF-UHFFFAOYSA-N
XLogP1.13
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine (CID 64856958) is N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine is COCCN(C)CCn1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine?
The InChIKey is YCSINKUULZHWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-19(7-8-21-2)5-6-20-11-3-4-17-9-10(11)18-12(20)13(14,15)16/h17H,3-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine?
N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine has a molecular weight of 306.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]ethanamine is sourced from PubChem (CID 64856958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).