(1R)-2-amino-1-(1-methylindol-3-yl)ethanol

C11H14N2O — CID 39238214

IUPAC(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc([C@@H](O)CN)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3/t11-/m0/s1
InChIKeyDLSYAQZHEZIPRK-NSHDSACASA-N
MW190.25 g/mol
LogP1.17
Rot. Bonds2

About (1R)-2-amino-1-(1-methylindol-3-yl)ethanol

(1R)-2-amino-1-(1-methylindol-3-yl)ethanol (PubChem CID 39238214) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1R)-2-amino-1-(1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
PubChem CID39238214
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
SMILESCn1cc([C@@H](O)CN)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3/t11-/m0/s1
InChIKeyDLSYAQZHEZIPRK-NSHDSACASA-N
XLogP1.17
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
3-hydroxy-3-(1-methylindol-3-yl)propanoic acid
CID 130117642
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
acetic acid;2-(1-methylindol-3-yl)-2-phenylethanamine
CID 75539416
1-methyl-3-propan-2-ylindole
CID 10942942
3-methoxy-2-(1-methylindol-3-yl)propan-1-amine
CID 116835610
(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 96855329
1-(1-methylindol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821284
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(1-methylindol-3-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(1-methylindol-3-yl)ethanol (CID 39238214) is (1R)-2-amino-1-(1-methylindol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(1-methylindol-3-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(1-methylindol-3-yl)ethanol is Cn1cc([C@@H](O)CN)c2ccccc21.
What is the InChIKey of (1R)-2-amino-1-(1-methylindol-3-yl)ethanol?
The InChIKey is DLSYAQZHEZIPRK-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7,11,14H,6,12H2,1H3/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-(1-methylindol-3-yl)ethanol?
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol has a molecular weight of 190.25 g/mol, XLogP of 1.17, 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-methylindol-3-yl)ethanol is sourced from PubChem (CID 39238214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).