1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole

C18H19NO — CID 117185960

IUPAC1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole
SMILESCc1ccc(OCc2cc3ccc(C)cc3n2C)cc1
InChIInChI=1S/C18H19NO/c1-13-5-8-17(9-6-13)20-12-16-11-15-7-4-14(2)10-18(15)19(16)3/h4-11H,12H2,1-3H3
InChIKeyCXXWTXNYYBISQH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.37
Rot. Bonds3

About 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole

1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole (PubChem CID 117185960) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole.

Molecular Properties

Compound Name1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole
PubChem CID117185960
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole
SMILESCc1ccc(OCc2cc3ccc(C)cc3n2C)cc1
InChIInChI=1S/C18H19NO/c1-13-5-8-17(9-6-13)20-12-16-11-15-7-4-14(2)10-18(15)19(16)3/h4-11H,12H2,1-3H3
InChIKeyCXXWTXNYYBISQH-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

1-methyl-2-[(4-methylphenoxy)methyl]indole-6-carboxylic acid
CID 117180420
2-(methoxymethyl)-1,6-dimethylindole
CID 117185979
2-[(4-methoxyphenoxy)methyl]-1,5-dimethylindole
CID 117185409
1,6-dimethyl-2-(propan-2-yloxymethyl)indole
CID 117185984
2-[(4-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180250
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
CID 117176538
3-[(6-methyl-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117186036
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole?
The IUPAC name of 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole (CID 117185960) is 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole.
What is the SMILES notation for 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole?
The canonical SMILES for 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole is Cc1ccc(OCc2cc3ccc(C)cc3n2C)cc1.
What is the InChIKey of 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole?
The InChIKey is CXXWTXNYYBISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-5-8-17(9-6-13)20-12-16-11-15-7-4-14(2)10-18(15)19(16)3/h4-11H,12H2,1-3H3.
What are the key properties of 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole?
1,6-dimethyl-2-[(4-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 1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole is sourced from PubChem (CID 117185960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).