4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol

C15H24N2O — CID 64786439

IUPAC4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1Cc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-12(8-15(2,11-18)16-3)17-9-13-6-4-5-7-14(13)10-17/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyXKSHWQLCGAFDHF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.75
Rot. Bonds5

About 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol

4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64786439) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64786439
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CC(C)N1Cc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-12(8-15(2,11-18)16-3)17-9-13-6-4-5-7-14(13)10-17/h4-7,12,16,18H,8-11H2,1-3H3
InChIKeyXKSHWQLCGAFDHF-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol (CID 64786439) is 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CC(C)N1Cc2ccccc2C1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is XKSHWQLCGAFDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(8-15(2,11-18)16-3)17-9-13-6-4-5-7-14(13)10-17/h4-7,12,16,18H,8-11H2,1-3H3.
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol?
4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64786439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).