(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol

C13H16N2O — CID 171268223

IUPAC(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
SMILESN[C@@H](c1cccc2[nH]ccc12)[C@H](O)C1CC1
InChIInChI=1S/C13H16N2O/c14-12(13(16)8-4-5-8)10-2-1-3-11-9(10)6-7-15-11/h1-3,6-8,12-13,15-16H,4-5,14H2/t12-,13+/m0/s1
InChIKeyZODDTVXNNFZDNX-QWHCGFSZSA-N
MW216.28 g/mol
LogP1.94
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol

(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol (PubChem CID 171268223) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
PubChem CID171268223
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
SMILESN[C@@H](c1cccc2[nH]ccc12)[C@H](O)C1CC1
InChIInChI=1S/C13H16N2O/c14-12(13(16)8-4-5-8)10-2-1-3-11-9(10)6-7-15-11/h1-3,6-8,12-13,15-16H,4-5,14H2/t12-,13+/m0/s1
InChIKeyZODDTVXNNFZDNX-QWHCGFSZSA-N
XLogP1.94
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
CID 171262554
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol (CID 171268223) is (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol is N[C@@H](c1cccc2[nH]ccc12)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol?
The InChIKey is ZODDTVXNNFZDNX-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H16N2O/c14-12(13(16)8-4-5-8)10-2-1-3-11-9(10)6-7-15-11/h1-3,6-8,12-13,15-16H,4-5,14H2/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol?
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol has a molecular weight of 216.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol is sourced from PubChem (CID 171268223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).