4-amino-1-(propan-2-ylamino)indol-7-ol

C11H15N3O — CID 69255586

IUPAC4-amino-1-(propan-2-ylamino)indol-7-ol
SMILESCC(C)Nn1ccc2c(N)ccc(O)c21
InChIInChI=1S/C11H15N3O/c1-7(2)13-14-6-5-8-9(12)3-4-10(15)11(8)14/h3-7,13,15H,12H2,1-2H3
InChIKeySGVMIHVMIVABIL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.88
Rot. Bonds2

About 4-amino-1-(propan-2-ylamino)indol-7-ol

4-amino-1-(propan-2-ylamino)indol-7-ol (PubChem CID 69255586) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-amino-1-(propan-2-ylamino)indol-7-ol.

Molecular Properties

Compound Name4-amino-1-(propan-2-ylamino)indol-7-ol
PubChem CID69255586
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-amino-1-(propan-2-ylamino)indol-7-ol
SMILESCC(C)Nn1ccc2c(N)ccc(O)c21
InChIInChI=1S/C11H15N3O/c1-7(2)13-14-6-5-8-9(12)3-4-10(15)11(8)14/h3-7,13,15H,12H2,1-2H3
InChIKeySGVMIHVMIVABIL-UHFFFAOYSA-N
XLogP1.88
TPSA63.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(propan-2-ylamino)indazol-7-ol
CID 69254031
4-amino-1-ethoxyindol-7-ol
CID 69254870
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CID 84657542
3-amino-1-(propan-2-ylamino)pyrazol-4-ol
CID 69238393
4-amino-3-(1-hydroxyethylamino)-2-methylphenol
CID 174202825
7-hydroxy-1-propan-2-ylindole-4-carbaldehyde
CID 122448541
4-amino-1-benzothiophen-7-ol
CID 54042760
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825
2-amino-5-bromophenol;2-methylpropane
CID 143907828
2-methylpropane;naphthalene-1,4-diol
CID 144756444
4-amino-2-methyl-1H-indol-5-ol
CID 82415321

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(propan-2-ylamino)indol-7-ol?
The IUPAC name of 4-amino-1-(propan-2-ylamino)indol-7-ol (CID 69255586) is 4-amino-1-(propan-2-ylamino)indol-7-ol.
What is the SMILES notation for 4-amino-1-(propan-2-ylamino)indol-7-ol?
The canonical SMILES for 4-amino-1-(propan-2-ylamino)indol-7-ol is CC(C)Nn1ccc2c(N)ccc(O)c21.
What is the InChIKey of 4-amino-1-(propan-2-ylamino)indol-7-ol?
The InChIKey is SGVMIHVMIVABIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)13-14-6-5-8-9(12)3-4-10(15)11(8)14/h3-7,13,15H,12H2,1-2H3.
What are the key properties of 4-amino-1-(propan-2-ylamino)indol-7-ol?
4-amino-1-(propan-2-ylamino)indol-7-ol has a molecular weight of 205.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(propan-2-ylamino)indol-7-ol is sourced from PubChem (CID 69255586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).