1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol

C15H22N2O — CID 117179101

IUPAC1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
SMILESCC(C)NCc1cn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H22N2O/c1-10(2)16-8-12-9-17(11(3)4)15-7-13(18)5-6-14(12)15/h5-7,9-11,16,18H,8H2,1-4H3
InChIKeyGRHMAVNWJULZPY-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.43
Rot. Bonds4

About 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol

1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol (PubChem CID 117179101) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol.

Molecular Properties

Compound Name1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
PubChem CID117179101
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
SMILESCC(C)NCc1cn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C15H22N2O/c1-10(2)16-8-12-9-17(11(3)4)15-7-13(18)5-6-14(12)15/h5-7,9-11,16,18H,8H2,1-4H3
InChIKeyGRHMAVNWJULZPY-UHFFFAOYSA-N
XLogP3.43
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
The IUPAC name of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol (CID 117179101) is 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol.
What is the SMILES notation for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
The canonical SMILES for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol is CC(C)NCc1cn(C(C)C)c2cc(O)ccc12.
What is the InChIKey of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
The InChIKey is GRHMAVNWJULZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)16-8-12-9-17(11(3)4)15-7-13(18)5-6-14(12)15/h5-7,9-11,16,18H,8H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol?
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol has a molecular weight of 246.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol is sourced from PubChem (CID 117179101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).