[(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol

C12H17N3O — CID 139810376

IUPAC[(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol
SMILESCCN(CO)c1[nH]c2ccc(N)cc2c1C
InChIInChI=1S/C12H17N3O/c1-3-15(7-16)12-8(2)10-6-9(13)4-5-11(10)14-12/h4-6,14,16H,3,7,13H2,1-2H3
InChIKeyDMQTYHAZSRWNCM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.83
Rot. Bonds3

About [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol

[(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol (PubChem CID 139810376) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol.

Molecular Properties

Compound Name[(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol
PubChem CID139810376
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol
SMILESCCN(CO)c1[nH]c2ccc(N)cc2c1C
InChIInChI=1S/C12H17N3O/c1-3-15(7-16)12-8(2)10-6-9(13)4-5-11(10)14-12/h4-6,14,16H,3,7,13H2,1-2H3
InChIKeyDMQTYHAZSRWNCM-UHFFFAOYSA-N
XLogP1.83
TPSA65.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol?
The IUPAC name of [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol (CID 139810376) is [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol.
What is the SMILES notation for [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol?
The canonical SMILES for [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol is CCN(CO)c1[nH]c2ccc(N)cc2c1C.
What is the InChIKey of [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol?
The InChIKey is DMQTYHAZSRWNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15(7-16)12-8(2)10-6-9(13)4-5-11(10)14-12/h4-6,14,16H,3,7,13H2,1-2H3.
What are the key properties of [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol?
[(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol has a molecular weight of 219.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-amino-3-methyl-1H-indol-2-yl)-ethylamino]methanol is sourced from PubChem (CID 139810376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).