5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole

C16H23NO — CID 115075931

IUPAC5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
SMILESCC1(COc2ccc3c(c2)CNC3)CCCCC1
InChIInChI=1S/C16H23NO/c1-16(7-3-2-4-8-16)12-18-15-6-5-13-10-17-11-14(13)9-15/h5-6,9,17H,2-4,7-8,10-12H2,1H3
InChIKeyNJGKMOQAUFKJDS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.64
Rot. Bonds3

About 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole

5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole (PubChem CID 115075931) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
PubChem CID115075931
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole
SMILESCC1(COc2ccc3c(c2)CNC3)CCCCC1
InChIInChI=1S/C16H23NO/c1-16(7-3-2-4-8-16)12-18-15-6-5-13-10-17-11-14(13)9-15/h5-6,9,17H,2-4,7-8,10-12H2,1H3
InChIKeyNJGKMOQAUFKJDS-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076573
6-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076431
7-[(1-ethyl-4-methylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076618
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372
1-iodo-4-[(1-methylcyclopentyl)methoxy]benzene
CID 130578092
2-(2,3-dihydro-1H-isoindol-5-yloxy)-N,N-dimethylethanamine
CID 59263142
5-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-isoindole
CID 115075958
6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
5-[(1-methylcyclohexyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076115

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole?
The IUPAC name of 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole (CID 115075931) is 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole?
The canonical SMILES for 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole is CC1(COc2ccc3c(c2)CNC3)CCCCC1.
What is the InChIKey of 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole?
The InChIKey is NJGKMOQAUFKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(7-3-2-4-8-16)12-18-15-6-5-13-10-17-11-14(13)9-15/h5-6,9,17H,2-4,7-8,10-12H2,1H3.
What are the key properties of 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole?
5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole has a molecular weight of 245.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclohexyl)methoxy]-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 115075931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).