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

C15H20N2O — CID 171262554

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
SMILESN[C@H](c1cccc2[nH]ccc12)[C@@H](O)C1CCCC1
InChIInChI=1S/C15H20N2O/c16-14(15(18)10-4-1-2-5-10)12-6-3-7-13-11(12)8-9-17-13/h3,6-10,14-15,17-18H,1-2,4-5,16H2/t14-,15+/m1/s1
InChIKeyNAHKKABNUBMIJI-CABCVRRESA-N
MW244.34 g/mol
LogP2.72
Rot. Bonds3

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

(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol (PubChem CID 171262554) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
PubChem CID171262554
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
SMILESN[C@H](c1cccc2[nH]ccc12)[C@@H](O)C1CCCC1
InChIInChI=1S/C15H20N2O/c16-14(15(18)10-4-1-2-5-10)12-6-3-7-13-11(12)8-9-17-13/h3,6-10,14-15,17-18H,1-2,4-5,16H2/t14-,15+/m1/s1
InChIKeyNAHKKABNUBMIJI-CABCVRRESA-N
XLogP2.72
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
(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-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
(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-2-(1H-indol-4-yl)ethanol
CID 55282534
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol (CID 171262554) is (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol is N[C@H](c1cccc2[nH]ccc12)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol?
The InChIKey is NAHKKABNUBMIJI-CABCVRRESA-N. The full InChI is InChI=1S/C15H20N2O/c16-14(15(18)10-4-1-2-5-10)12-6-3-7-13-11(12)8-9-17-13/h3,6-10,14-15,17-18H,1-2,4-5,16H2/t14-,15+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol?
(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol has a molecular weight of 244.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol is sourced from PubChem (CID 171262554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).