(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol

C21H26N2O — CID 171264885

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol
SMILESCCn1c2ccccc2c2cc([C@@H](N)[C@@H](O)C3CCCC3)ccc21
InChIInChI=1S/C21H26N2O/c1-2-23-18-10-6-5-9-16(18)17-13-15(11-12-19(17)23)20(22)21(24)14-7-3-4-8-14/h5-6,9-14,20-21,24H,2-4,7-8,22H2,1H3/t20-,21+/m1/s1
InChIKeyIMTSJRIHKIZOAL-RTWAWAEBSA-N
MW322.45 g/mol
LogP4.37
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol

(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol (PubChem CID 171264885) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol
PubChem CID171264885
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol
SMILESCCn1c2ccccc2c2cc([C@@H](N)[C@@H](O)C3CCCC3)ccc21
InChIInChI=1S/C21H26N2O/c1-2-23-18-10-6-5-9-16(18)17-13-15(11-12-19(17)23)20(22)21(24)14-7-3-4-8-14/h5-6,9-14,20-21,24H,2-4,7-8,22H2,1H3/t20-,21+/m1/s1
InChIKeyIMTSJRIHKIZOAL-RTWAWAEBSA-N
XLogP4.37
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-cyclopropyl-2-(9-ethylcarbazol-3-yl)ethanol;hydrochloride
CID 171264882
(R)-cyclopentyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213069
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
(R)-(9-ethylcarbazol-3-yl)-(oxan-4-yl)methanamine
CID 171250725
2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
CID 117426376
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
CID 171282180
(1R)-1-(9-ethylcarbazol-3-yl)-2-fluoroethanamine;hydrochloride
CID 171232651
3-amino-1-(9-ethylcarbazol-3-yl)propane-1,2-diol
CID 170829191
1-(9-ethylcarbazol-3-yl)propane-1,2,3-triol
CID 170819012
(1S)-1-(9-ethylcarbazol-3-yl)butane-1,4-diamine
CID 171232656
3-butan-2-yl-9-ethylcarbazole
CID 23520664
(3S)-3-amino-3-(9-ethylcarbazol-3-yl)propanenitrile
CID 171260153

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol (CID 171264885) is (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol is CCn1c2ccccc2c2cc([C@@H](N)[C@@H](O)C3CCCC3)ccc21.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol?
The InChIKey is IMTSJRIHKIZOAL-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-23-18-10-6-5-9-16(18)17-13-15(11-12-19(17)23)20(22)21(24)14-7-3-4-8-14/h5-6,9-14,20-21,24H,2-4,7-8,22H2,1H3/t20-,21+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol?
(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol has a molecular weight of 322.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol is sourced from PubChem (CID 171264885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).