4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol

C13H19NO — CID 105457920

IUPAC4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H19NO/c1-13(2,15)6-5-10-3-4-11-8-14-9-12(11)7-10/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeySGWMVUTXNAYDMH-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.99
Rot. Bonds3

About 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol

4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol (PubChem CID 105457920) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
PubChem CID105457920
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc2c(c1)CNC2
InChIInChI=1S/C13H19NO/c1-13(2,15)6-5-10-3-4-11-8-14-9-12(11)7-10/h3-4,7,14-15H,5-6,8-9H2,1-2H3
InChIKeySGWMVUTXNAYDMH-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(2,3-dihydro-1H-isoindol-5-yl)propanoate
CID 115104742
N-[2-(2,3-dihydro-1H-isoindol-5-yl)ethyl]propan-2-amine
CID 115105185
3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 115104716
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
tert-butyl 3-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanoate
CID 142433320
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
1-(2,3-dihydro-1H-isoindol-5-yl)-N-methoxy-N-methylmethanamine
CID 114396701
4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
CID 96659553
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999143
3-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1,1-dimethylurea
CID 105357649

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol (CID 105457920) is 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol is CC(C)(O)CCc1ccc2c(c1)CNC2.
What is the InChIKey of 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol?
The InChIKey is SGWMVUTXNAYDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,15)6-5-10-3-4-11-8-14-9-12(11)7-10/h3-4,7,14-15H,5-6,8-9H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol?
4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-isoindol-5-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 105457920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).