1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole

C18H19NO — CID 117185122

IUPAC1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
SMILESCc1cccc(OCc2cn(C)c3ccc(C)cc23)c1
InChIInChI=1S/C18H19NO/c1-13-5-4-6-16(9-13)20-12-15-11-19(3)18-8-7-14(2)10-17(15)18/h4-11H,12H2,1-3H3
InChIKeyDIAOQKYIKMPMNY-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.37
Rot. Bonds3

About 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole

1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole (PubChem CID 117185122) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole.

Molecular Properties

Compound Name1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
PubChem CID117185122
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
SMILESCc1cccc(OCc2cn(C)c3ccc(C)cc23)c1
InChIInChI=1S/C18H19NO/c1-13-5-4-6-16(9-13)20-12-15-11-19(3)18-8-7-14(2)10-17(15)18/h4-11H,12H2,1-3H3
InChIKeyDIAOQKYIKMPMNY-UHFFFAOYSA-N
XLogP4.37
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
1-methyl-3-[(3-methylphenoxy)methyl]indol-7-ol
CID 117181915
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
1-methyl-3-[(3-methylphenoxy)methyl]indole-4-carboxylic acid
CID 117171568
1-methyl-3-[(4-methylphenoxy)methyl]indole-5-carboxylic acid
CID 117175310
7-chloro-3-[(3-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117182438
5-chloro-1-methyl-3-(pyridin-3-yloxymethyl)indole
CID 117175188
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
CID 117178524

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole?
The IUPAC name of 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole (CID 117185122) is 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole.
What is the SMILES notation for 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole?
The canonical SMILES for 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole is Cc1cccc(OCc2cn(C)c3ccc(C)cc23)c1.
What is the InChIKey of 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole?
The InChIKey is DIAOQKYIKMPMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-5-4-6-16(9-13)20-12-15-11-19(3)18-8-7-14(2)10-17(15)18/h4-11H,12H2,1-3H3.
What are the key properties of 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole?
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole has a molecular weight of 265.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole is sourced from PubChem (CID 117185122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).