2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline

C15H20N4O — CID 79361618

IUPAC2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
SMILESCOc1ccccc1N(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H20N4O/c1-19(14-5-3-4-6-15(14)20-2)9-11-7-12-13(8-16-11)18-10-17-12/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyQNSREVJLHUAQRH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds4

About 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline

2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline (PubChem CID 79361618) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
PubChem CID79361618
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline
SMILESCOc1ccccc1N(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C15H20N4O/c1-19(14-5-3-4-6-15(14)20-2)9-11-7-12-13(8-16-11)18-10-17-12/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyQNSREVJLHUAQRH-UHFFFAOYSA-N
XLogP1.57
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline (CID 79361618) is 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline is COc1ccccc1N(C)CC1Cc2nc[nH]c2CN1.
What is the InChIKey of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
The InChIKey is QNSREVJLHUAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19(14-5-3-4-6-15(14)20-2)9-11-7-12-13(8-16-11)18-10-17-12/h3-6,10-11,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline?
2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline has a molecular weight of 272.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)aniline is sourced from PubChem (CID 79361618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).