(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol

C24H24N2O — CID 58837428

IUPAC(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cccc(-c3ccccc3)c21
InChIInChI=1S/C24H24N2O/c1-25-17-22(27)24(19-11-6-3-7-12-19)26-16-15-20-13-8-14-21(23(20)26)18-9-4-2-5-10-18/h2-16,22,24-25,27H,17H2,1H3/t22-,24+/m1/s1
InChIKeyKQIDTCFSECYUDD-VWNXMTODSA-N
MW356.47 g/mol
LogP4.48
Rot. Bonds6

About (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol

(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol (PubChem CID 58837428) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol
PubChem CID58837428
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cccc(-c3ccccc3)c21
InChIInChI=1S/C24H24N2O/c1-25-17-22(27)24(19-11-6-3-7-12-19)26-16-15-20-13-8-14-21(23(20)26)18-9-4-2-5-10-18/h2-16,22,24-25,27H,17H2,1H3/t22-,24+/m1/s1
InChIKeyKQIDTCFSECYUDD-VWNXMTODSA-N
XLogP4.48
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol?
The IUPAC name of (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol (CID 58837428) is (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol.
What is the SMILES notation for (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol?
The canonical SMILES for (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2cccc(-c3ccccc3)c21.
What is the InChIKey of (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol?
The InChIKey is KQIDTCFSECYUDD-VWNXMTODSA-N. The full InChI is InChI=1S/C24H24N2O/c1-25-17-22(27)24(19-11-6-3-7-12-19)26-16-15-20-13-8-14-21(23(20)26)18-9-4-2-5-10-18/h2-16,22,24-25,27H,17H2,1H3/t22-,24+/m1/s1.
What are the key properties of (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol?
(1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol has a molecular weight of 356.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3-(methylamino)-1-phenyl-1-(7-phenylindol-1-yl)propan-2-ol is sourced from PubChem (CID 58837428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).