(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol

C19H21ClN2O — CID 11270071

IUPAC(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol
SMILESC[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19-/m1/s1
InChIKeyAGWBMRMDTWHPJM-BFUOFWGJSA-N
MW328.84 g/mol
LogP4.08
Rot. Bonds6

About (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol

(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol (PubChem CID 11270071) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol
PubChem CID11270071
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol
SMILESC[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19-/m1/s1
InChIKeyAGWBMRMDTWHPJM-BFUOFWGJSA-N
XLogP4.08
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol?
The IUPAC name of (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol (CID 11270071) is (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol is C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol?
The InChIKey is AGWBMRMDTWHPJM-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13(9-15-11-22-18-8-3-2-7-17(15)18)21-12-19(23)14-5-4-6-16(20)10-14/h2-8,10-11,13,19,21-23H,9,12H2,1H3/t13-,19-/m1/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol?
(1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol has a molecular weight of 328.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethanol is sourced from PubChem (CID 11270071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).