7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine

C19H22N2O — CID 11681486

IUPAC7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine
SMILESCc1ccc(OCc2nccc3c(C)c(C)n(C)c23)c(C)c1
InChIInChI=1S/C19H22N2O/c1-12-6-7-18(13(2)10-12)22-11-17-19-16(8-9-20-17)14(3)15(4)21(19)5/h6-10H,11H2,1-5H3
InChIKeyCBWNTCRFSHQVQP-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.39
Rot. Bonds3

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

7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine (PubChem CID 11681486) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine
PubChem CID11681486
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine
SMILESCc1ccc(OCc2nccc3c(C)c(C)n(C)c23)c(C)c1
InChIInChI=1S/C19H22N2O/c1-12-6-7-18(13(2)10-12)22-11-17-19-16(8-9-20-17)14(3)15(4)21(19)5/h6-10H,11H2,1-5H3
InChIKeyCBWNTCRFSHQVQP-UHFFFAOYSA-N
XLogP4.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-Methoxy-1-(Trifluoromethyl)-9h-Pyrido[3,4-B]indol-9-Yl)butan-1-Amine
CID 54613080
1-Methyl-2-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-1H-indole
CID 44372368
N-butylharmine
CID 486624
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1-methyl-1H-indole
CID 20744797
7-Methoxy-1,2-dimethyl-2H-pyrido(3,4-b)indole
CID 160853
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
N-Ethylharmine
CID 486623
3-Methyl-2-[4-(3-piperidin-1-yl-propoxy)-phenyl]-indolizine
CID 9841261
2-(7-Methoxy-1-methyl-9H-pyrido[3,4-b]indol-9-yl)acetonitrile
CID 9881447
1-Methyl-7-benzyloxy-beta-carboline
CID 9882402
7-(Cyclohexylmethoxy)-1-methyl-beta-carboline
CID 9904206
2-(4-Piperidinopropoxyphenyl)indolizine
CID 9923762

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine (CID 11681486) is 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine is Cc1ccc(OCc2nccc3c(C)c(C)n(C)c23)c(C)c1.
What is the InChIKey of 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine?
The InChIKey is CBWNTCRFSHQVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12-6-7-18(13(2)10-12)22-11-17-19-16(8-9-20-17)14(3)15(4)21(19)5/h6-10H,11H2,1-5H3.
What are the key properties of 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine?
7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine has a molecular weight of 294.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dimethylphenoxy)methyl]-1,2,3-trimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11681486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).