4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole

C18H27NO — CID 115074397

IUPAC4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(C)CCC(C)(COc2cccc3c2CCN3)CC1
InChIInChI=1S/C18H27NO/c1-17(2)8-10-18(3,11-9-17)13-20-16-6-4-5-15-14(16)7-12-19-15/h4-6,19H,7-13H2,1-3H3
InChIKeyDMBJNXFWYAZCNR-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.64
Rot. Bonds3

About 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole

4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074397) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074397
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(C)CCC(C)(COc2cccc3c2CCN3)CC1
InChIInChI=1S/C18H27NO/c1-17(2)8-10-18(3,11-9-17)13-20-16-6-4-5-15-14(16)7-12-19-15/h4-6,19H,7-13H2,1-3H3
InChIKeyDMBJNXFWYAZCNR-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
CID 115074393
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
4-[(1,4-dimethylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074436
4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074421
5-[(1,4-dimethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075159
7-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074940
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
CID 115075833
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075103
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
5-[(2-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075064
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole (CID 115074397) is 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole is CC1(C)CCC(C)(COc2cccc3c2CCN3)CC1.
What is the InChIKey of 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is DMBJNXFWYAZCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-17(2)8-10-18(3,11-9-17)13-20-16-6-4-5-15-14(16)7-12-19-15/h4-6,19H,7-13H2,1-3H3.
What are the key properties of 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole?
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 273.42 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).