2-[2-(methylamino)propyl]-1H-indol-7-ol

C12H16N2O — CID 117197123

IUPAC2-[2-(methylamino)propyl]-1H-indol-7-ol
SMILESCNC(C)Cc1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H16N2O/c1-8(13-2)6-10-7-9-4-3-5-11(15)12(9)14-10/h3-5,7-8,13-15H,6H2,1-2H3
InChIKeySGTVUBOREWGRCU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.02
Rot. Bonds3

About 2-[2-(methylamino)propyl]-1H-indol-7-ol

2-[2-(methylamino)propyl]-1H-indol-7-ol (PubChem CID 117197123) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[2-(methylamino)propyl]-1H-indol-7-ol.

Molecular Properties

Compound Name2-[2-(methylamino)propyl]-1H-indol-7-ol
PubChem CID117197123
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[2-(methylamino)propyl]-1H-indol-7-ol
SMILESCNC(C)Cc1cc2cccc(O)c2[nH]1
InChIInChI=1S/C12H16N2O/c1-8(13-2)6-10-7-9-4-3-5-11(15)12(9)14-10/h3-5,7-8,13-15H,6H2,1-2H3
InChIKeySGTVUBOREWGRCU-UHFFFAOYSA-N
XLogP2.02
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)propyl]-1H-indol-7-ol?
The IUPAC name of 2-[2-(methylamino)propyl]-1H-indol-7-ol (CID 117197123) is 2-[2-(methylamino)propyl]-1H-indol-7-ol.
What is the SMILES notation for 2-[2-(methylamino)propyl]-1H-indol-7-ol?
The canonical SMILES for 2-[2-(methylamino)propyl]-1H-indol-7-ol is CNC(C)Cc1cc2cccc(O)c2[nH]1.
What is the InChIKey of 2-[2-(methylamino)propyl]-1H-indol-7-ol?
The InChIKey is SGTVUBOREWGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(13-2)6-10-7-9-4-3-5-11(15)12(9)14-10/h3-5,7-8,13-15H,6H2,1-2H3.
What are the key properties of 2-[2-(methylamino)propyl]-1H-indol-7-ol?
2-[2-(methylamino)propyl]-1H-indol-7-ol has a molecular weight of 204.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)propyl]-1H-indol-7-ol is sourced from PubChem (CID 117197123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).