3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol

C13H20N2O — CID 82256860

IUPAC3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
SMILESOCCCNCCc1ccc2c(c1)CCN2
InChIInChI=1S/C13H20N2O/c16-9-1-6-14-7-4-11-2-3-13-12(10-11)5-8-15-13/h2-3,10,14-16H,1,4-9H2
InChIKeyIAKQXJICXJKVEY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds6

About 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol

3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol (PubChem CID 82256860) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
PubChem CID82256860
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
SMILESOCCCNCCc1ccc2c(c1)CCN2
InChIInChI=1S/C13H20N2O/c16-9-1-6-14-7-4-11-2-3-13-12(10-11)5-8-15-13/h2-3,10,14-16H,1,4-9H2
InChIKeyIAKQXJICXJKVEY-UHFFFAOYSA-N
XLogP1.17
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
CID 82256904
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773
N-[4-(2-hydroxyethyl)phenyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61237345
N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
CID 107815618
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
2-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethylamino]ethanol
CID 82256939
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
CID 82256808

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol (CID 82256860) is 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol is OCCCNCCc1ccc2c(c1)CCN2.
What is the InChIKey of 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol?
The InChIKey is IAKQXJICXJKVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-9-1-6-14-7-4-11-2-3-13-12(10-11)5-8-15-13/h2-3,10,14-16H,1,4-9H2.
What are the key properties of 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol?
3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 82256860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).