(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol

C18H19ClN2O — CID 45483087

IUPAC(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccc(Cl)cc1)n1ccc2ccccc21
InChIInChI=1S/C18H19ClN2O/c1-20-12-17(22)18(14-6-8-15(19)9-7-14)21-11-10-13-4-2-3-5-16(13)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18+/m1/s1
InChIKeyKDLATVNCFJVLBE-MSOLQXFVSA-N
MW314.82 g/mol
LogP3.46
Rot. Bonds5

About (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol

(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol (PubChem CID 45483087) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
PubChem CID45483087
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccc(Cl)cc1)n1ccc2ccccc21
InChIInChI=1S/C18H19ClN2O/c1-20-12-17(22)18(14-6-8-15(19)9-7-14)21-11-10-13-4-2-3-5-16(13)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18+/m1/s1
InChIKeyKDLATVNCFJVLBE-MSOLQXFVSA-N
XLogP3.46
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
The IUPAC name of (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol (CID 45483087) is (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
The canonical SMILES for (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol is CNC[C@@H](O)[C@H](c1ccc(Cl)cc1)n1ccc2ccccc21.
What is the InChIKey of (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
The InChIKey is KDLATVNCFJVLBE-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-20-12-17(22)18(14-6-8-15(19)9-7-14)21-11-10-13-4-2-3-5-16(13)21/h2-11,17-18,20,22H,12H2,1H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol?
(1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol has a molecular weight of 314.82 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(4-chlorophenyl)-1-indol-1-yl-3-(methylamino)propan-2-ol is sourced from PubChem (CID 45483087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).