(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol

C12H16N2O — CID 95438701

IUPAC(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
SMILESCc1c([C@@H](O)CN)c2ccccc2n1C
InChIInChI=1S/C12H16N2O/c1-8-12(11(15)7-13)9-5-3-4-6-10(9)14(8)2/h3-6,11,15H,7,13H2,1-2H3/t11-/m0/s1
InChIKeyFWCPGUWGHHVIQP-NSHDSACASA-N
MW204.27 g/mol
LogP1.48
Rot. Bonds2

About (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol

(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol (PubChem CID 95438701) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
PubChem CID95438701
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
SMILESCc1c([C@@H](O)CN)c2ccccc2n1C
InChIInChI=1S/C12H16N2O/c1-8-12(11(15)7-13)9-5-3-4-6-10(9)14(8)2/h3-6,11,15H,7,13H2,1-2H3/t11-/m0/s1
InChIKeyFWCPGUWGHHVIQP-NSHDSACASA-N
XLogP1.48
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660
2-(1,2-dimethylindol-3-yl)-2-methoxyethanamine
CID 82285579
2,3-bis(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539162
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
2-(1,2-dimethylindol-3-yl)propanamide
CID 20667705
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
3-iodo-1,2-dimethylindole
CID 19093282
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
2-[4-[2-amino-1-(1,2-dimethylindol-3-yl)ethyl]piperidin-1-yl]ethanol
CID 83976723
2-(1,2-dimethylindol-3-yl)-2-(3-methylcyclohexyl)ethanamine
CID 83976727
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol (CID 95438701) is (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol is Cc1c([C@@H](O)CN)c2ccccc2n1C.
What is the InChIKey of (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol?
The InChIKey is FWCPGUWGHHVIQP-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-12(11(15)7-13)9-5-3-4-6-10(9)14(8)2/h3-6,11,15H,7,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol?
(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol has a molecular weight of 204.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol is sourced from PubChem (CID 95438701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).