(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol

C11H14N2O — CID 131064485

IUPAC(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H14N2O/c1-7(14)11(12)9-3-2-8-4-5-13-10(8)6-9/h2-7,11,13-14H,12H2,1H3/t7-,11-/m1/s1
InChIKeyHXXAEFXYURYVFC-RDDDGLTNSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds2

About (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol

(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol (PubChem CID 131064485) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
PubChem CID131064485
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H14N2O/c1-7(14)11(12)9-3-2-8-4-5-13-10(8)6-9/h2-7,11,13-14H,12H2,1H3/t7-,11-/m1/s1
InChIKeyHXXAEFXYURYVFC-RDDDGLTNSA-N
XLogP1.55
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
1-(1H-indol-6-yl)-N-methylethanamine
CID 66967768
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
3-amino-1-(1H-indol-6-yl)propane-1,2-diol
CID 170828204
(1R)-3,3-difluoro-1-(1H-indol-6-yl)propan-1-amine
CID 131447167
(1R)-2,2,2-trifluoro-1-(1H-indol-6-yl)ethanamine
CID 66510965

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol (CID 131064485) is (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol is C[C@@H](O)[C@@H](N)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol?
The InChIKey is HXXAEFXYURYVFC-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(14)11(12)9-3-2-8-4-5-13-10(8)6-9/h2-7,11,13-14H,12H2,1H3/t7-,11-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol?
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol has a molecular weight of 190.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol is sourced from PubChem (CID 131064485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).