7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

C18H20N2O — CID 11580015

IUPAC7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1ccc(OCc2nccc3c(C)c(C)[nH]c23)c(C)c1
InChIInChI=1S/C18H20N2O/c1-11-5-6-17(12(2)9-11)21-10-16-18-15(7-8-19-16)13(3)14(4)20-18/h5-9,20H,10H2,1-4H3
InChIKeyLSSDDFYTJHFBNX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.38
Rot. Bonds3

About 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine

7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 11580015) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID11580015
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
SMILESCc1ccc(OCc2nccc3c(C)c(C)[nH]c23)c(C)c1
InChIInChI=1S/C18H20N2O/c1-11-5-6-17(12(2)9-11)21-10-16-18-15(7-8-19-16)13(3)14(4)20-18/h5-9,20H,10H2,1-4H3
InChIKeyLSSDDFYTJHFBNX-UHFFFAOYSA-N
XLogP4.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine
CID 11681486
7-[(2,4-dimethylphenoxy)methyl]-1-ethyl-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 11695887
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
5-[(2,4-dimethylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82079012
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
tert-butyl N-[2-[(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)methyl]-4-fluorophenyl]carbamate
CID 11574234
5-[(2,4-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62193335
ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
4-[(2,4-dimethylphenoxy)methyl]-2-methylquinoline
CID 79232555
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine (CID 11580015) is 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine is Cc1ccc(OCc2nccc3c(C)c(C)[nH]c23)c(C)c1.
What is the InChIKey of 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is LSSDDFYTJHFBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-5-6-17(12(2)9-11)21-10-16-18-15(7-8-19-16)13(3)14(4)20-18/h5-9,20H,10H2,1-4H3.
What are the key properties of 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine?
7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 280.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethylphenoxy)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11580015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).