(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol

C30H34N2O2 — CID 41141115

IUPAC(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
SMILESCc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC[C@H]1CCCO1
InChIInChI=1S/C30H34N2O2/c1-21-16-22(2)29-27(17-21)28(23-10-5-3-6-11-23)30(24-12-7-4-8-13-24)32(29)20-25(33)18-31-19-26-14-9-15-34-26/h3-8,10-13,16-17,25-26,31,33H,9,14-15,18-20H2,1-2H3/t25-,26+/m0/s1
InChIKeyGIZJJZDVTCIDDL-IZZNHLLZSA-N
MW454.61 g/mol
LogP5.72
Rot. Bonds8

About (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol

(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol (PubChem CID 41141115) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
PubChem CID41141115
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
SMILESCc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC[C@H]1CCCO1
InChIInChI=1S/C30H34N2O2/c1-21-16-22(2)29-27(17-21)28(23-10-5-3-6-11-23)30(24-12-7-4-8-13-24)32(29)20-25(33)18-31-19-26-14-9-15-34-26/h3-8,10-13,16-17,25-26,31,33H,9,14-15,18-20H2,1-2H3/t25-,26+/m0/s1
InChIKeyGIZJJZDVTCIDDL-IZZNHLLZSA-N
XLogP5.72
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-carbazol-9-yl-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 782148
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5,7-dimethyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 35583368
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[[(2S)-oxolan-2-yl]methylamino]propan-2-ol
CID 991224
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
5,7-dimethyl-1-(oxiran-2-ylmethyl)-2,3-diphenylindole
CID 163358496
(2S)-1-(cyclopentylamino)-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 7124980
9-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 1085881
9-[2-hydroxy-3-(oxolan-2-ylmethylamino)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3737826
1-(2,4-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 3579043
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol (CID 41141115) is (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol is Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC[C@H]1CCCO1.
What is the InChIKey of (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
The InChIKey is GIZJJZDVTCIDDL-IZZNHLLZSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-21-16-22(2)29-27(17-21)28(23-10-5-3-6-11-23)30(24-12-7-4-8-13-24)32(29)20-25(33)18-31-19-26-14-9-15-34-26/h3-8,10-13,16-17,25-26,31,33H,9,14-15,18-20H2,1-2H3/t25-,26+/m0/s1.
What are the key properties of (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol?
(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol has a molecular weight of 454.61 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 41141115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).