5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole

C17H25NO — CID 115074571

IUPAC5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
SMILESCC1(C)CCC(C)(Oc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C17H25NO/c1-16(2)7-9-17(3,10-8-16)19-14-4-5-15-13(12-14)6-11-18-15/h4-5,12,18H,6-11H2,1-3H3
InChIKeyOKENNLOASHPWEK-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.39
Rot. Bonds2

About 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole

5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074571) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
PubChem CID115074571
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole
SMILESCC1(C)CCC(C)(Oc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C17H25NO/c1-16(2)7-9-17(3,10-8-16)19-14-4-5-15-13(12-14)6-11-18-15/h4-5,12,18H,6-11H2,1-3H3
InChIKeyOKENNLOASHPWEK-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494
6-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075243
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxy)thiane 1,1-dioxide
CID 115075238
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075316
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397
6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074698
7-(1-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076487
6-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076299
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076485
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074531

Frequently Asked Questions

What is the IUPAC name of 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole (CID 115074571) is 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole is CC1(C)CCC(C)(Oc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
The InChIKey is OKENNLOASHPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)7-9-17(3,10-8-16)19-14-4-5-15-13(12-14)6-11-18-15/h4-5,12,18H,6-11H2,1-3H3.
What are the key properties of 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole?
5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole has a molecular weight of 259.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4,4-trimethylcyclohexyl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).