(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol

C17H23ClN2O2 — CID 42589661

IUPAC(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2
InChIInChI=1S/C17H23ClN2O2/c18-15-6-3-5-14-13-4-1-2-7-16(13)20(17(14)15)11-12(22)10-19-8-9-21/h3,5-6,12,19,21-22H,1-2,4,7-11H2/t12-/m1/s1
InChIKeyYQRCRBYMNWFGDC-GFCCVEGCSA-N
MW322.84 g/mol
LogP2.12
Rot. Bonds6

About (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol

(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 42589661) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID42589661
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2
InChIInChI=1S/C17H23ClN2O2/c18-15-6-3-5-14-13-4-1-2-7-16(13)20(17(14)15)11-12(22)10-19-8-9-21/h3,5-6,12,19,21-22H,1-2,4,7-11H2/t12-/m1/s1
InChIKeyYQRCRBYMNWFGDC-GFCCVEGCSA-N
XLogP2.12
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol (CID 42589661) is (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol is OCCNC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2.
What is the InChIKey of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is YQRCRBYMNWFGDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-6-3-5-14-13-4-1-2-7-16(13)20(17(14)15)11-12(22)10-19-8-9-21/h3,5-6,12,19,21-22H,1-2,4,7-11H2/t12-/m1/s1.
What are the key properties of (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol?
(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 322.84 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 42589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).