6-propan-2-yloxy-1H-isoindol-5-amine

C11H14N2O — CID 159530417

IUPAC6-propan-2-yloxy-1H-isoindol-5-amine
SMILESCC(C)Oc1cc2c(cc1N)C=NC2
InChIInChI=1S/C11H14N2O/c1-7(2)14-11-4-9-6-13-5-8(9)3-10(11)12/h3-5,7H,6,12H2,1-2H3
InChIKeyNZLYIBUWZCYKBS-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.99
Rot. Bonds2

About 6-propan-2-yloxy-1H-isoindol-5-amine

6-propan-2-yloxy-1H-isoindol-5-amine (PubChem CID 159530417) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-propan-2-yloxy-1H-isoindol-5-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-1H-isoindol-5-amine
PubChem CID159530417
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-propan-2-yloxy-1H-isoindol-5-amine
SMILESCC(C)Oc1cc2c(cc1N)C=NC2
InChIInChI=1S/C11H14N2O/c1-7(2)14-11-4-9-6-13-5-8(9)3-10(11)12/h3-5,7H,6,12H2,1-2H3
InChIKeyNZLYIBUWZCYKBS-UHFFFAOYSA-N
XLogP1.99
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160896683
6-chloro-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162217583
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160896682
4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine;5-methyl-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159402019
5-bromo-6-ethoxy-1H-isoindole
CID 167569985
N,N-dimethyl-4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;4-[(6-propan-2-yloxy-1H-isoindol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 159712604
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine;3-bromo-N-(6-propan-2-yloxy-1H-isoindol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 162131082
5-bromo-4-fluoro-2-propan-2-yloxyaniline
CID 66111938
2,5-di(propan-2-yloxy)aniline
CID 18997718
3-amino-4-propan-2-yloxybenzenethiol
CID 155017605
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-amino-3-propan-2-yloxyphenol
CID 69025591

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-1H-isoindol-5-amine?
The IUPAC name of 6-propan-2-yloxy-1H-isoindol-5-amine (CID 159530417) is 6-propan-2-yloxy-1H-isoindol-5-amine.
What is the SMILES notation for 6-propan-2-yloxy-1H-isoindol-5-amine?
The canonical SMILES for 6-propan-2-yloxy-1H-isoindol-5-amine is CC(C)Oc1cc2c(cc1N)C=NC2.
What is the InChIKey of 6-propan-2-yloxy-1H-isoindol-5-amine?
The InChIKey is NZLYIBUWZCYKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)14-11-4-9-6-13-5-8(9)3-10(11)12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 6-propan-2-yloxy-1H-isoindol-5-amine?
6-propan-2-yloxy-1H-isoindol-5-amine has a molecular weight of 190.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-1H-isoindol-5-amine is sourced from PubChem (CID 159530417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).