2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol

C12H18N2O — CID 83860690

IUPAC2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol
SMILESCCc1cccc2c1NC(C(O)CN)C2
InChIInChI=1S/C12H18N2O/c1-2-8-4-3-5-9-6-10(11(15)7-13)14-12(8)9/h3-5,10-11,14-15H,2,6-7,13H2,1H3
InChIKeyCZIHCSWNSYCTJN-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.91
Rot. Bonds3

About 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol

2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol (PubChem CID 83860690) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol
PubChem CID83860690
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol
SMILESCCc1cccc2c1NC(C(O)CN)C2
InChIInChI=1S/C12H18N2O/c1-2-8-4-3-5-9-6-10(11(15)7-13)14-12(8)9/h3-5,10-11,14-15H,2,6-7,13H2,1H3
InChIKeyCZIHCSWNSYCTJN-UHFFFAOYSA-N
XLogP0.91
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol (CID 83860690) is 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol is CCc1cccc2c1NC(C(O)CN)C2.
What is the InChIKey of 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol?
The InChIKey is CZIHCSWNSYCTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-8-4-3-5-9-6-10(11(15)7-13)14-12(8)9/h3-5,10-11,14-15H,2,6-7,13H2,1H3.
What are the key properties of 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol?
2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-ethyl-2,3-dihydro-1H-indol-2-yl)ethanol is sourced from PubChem (CID 83860690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).