2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol

C11H16N2O — CID 112712686

IUPAC2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol
SMILESCC1=CC2C=CC(C(O)CN)=CC2N1
InChIInChI=1S/C11H16N2O/c1-7-4-8-2-3-9(11(14)6-12)5-10(8)13-7/h2-5,8,10-11,13-14H,6,12H2,1H3
InChIKeyVSVMXHYGYMYAQK-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.29
Rot. Bonds2

About 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol

2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol (PubChem CID 112712686) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol
PubChem CID112712686
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol
SMILESCC1=CC2C=CC(C(O)CN)=CC2N1
InChIInChI=1S/C11H16N2O/c1-7-4-8-2-3-9(11(14)6-12)5-10(8)13-7/h2-5,8,10-11,13-14H,6,12H2,1H3
InChIKeyVSVMXHYGYMYAQK-UHFFFAOYSA-N
XLogP0.29
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol?
The IUPAC name of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol (CID 112712686) is 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol is CC1=CC2C=CC(C(O)CN)=CC2N1.
What is the InChIKey of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol?
The InChIKey is VSVMXHYGYMYAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-4-8-2-3-9(11(14)6-12)5-10(8)13-7/h2-5,8,10-11,13-14H,6,12H2,1H3.
What are the key properties of 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol?
2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-3a,7a-dihydro-1H-indol-6-yl)ethanol is sourced from PubChem (CID 112712686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).