(1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol

C18H18BrFN2O — CID 45483113

IUPAC(1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Br)c21
InChIInChI=1S/C18H18BrFN2O/c1-21-11-16(23)18(13-5-2-6-14(20)10-13)22-9-8-12-4-3-7-15(19)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/m1/s1
InChIKeyTUHQZGVWJDBKNN-AEFFLSMTSA-N
MW377.26 g/mol
LogP3.71
Rot. Bonds5

About (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol

(1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol (PubChem CID 45483113) has the molecular formula C18H18BrFN2O and a molecular weight of 377.26 g/mol. Its IUPAC name is (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
PubChem CID45483113
Molecular FormulaC18H18BrFN2O
Molecular Weight377.26 g/mol
Exact Mass376.06
IUPAC Name(1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
SMILESCNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Br)c21
InChIInChI=1S/C18H18BrFN2O/c1-21-11-16(23)18(13-5-2-6-14(20)10-13)22-9-8-12-4-3-7-15(19)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/m1/s1
InChIKeyTUHQZGVWJDBKNN-AEFFLSMTSA-N
XLogP3.71
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclohexylamino)-3-(3,6-dibromo-9H-carbazol-9-yl)propan-2-ol
CID 3125888
Indole, 14
CID 44473055
1-(3,6-Dibromocarbazol-9-yl)-3-[(tert-butyl)amino]propan-2-ol
CID 2802127
1-(3,6-dibromo-9H-carbazol-9-yl)-3-(isopentylamino)-2-propanol
CID 2874418
1-(3,6-dibromo-9H-carbazol-9-yl)-3-(isopropylamino)-2-propanol
CID 4047337
(1S,2R)-1-(3-chlorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 25260132
(1S,2R)-1-(3-fluorophenyl)-1-(3-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 44626374
(1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-phenylpropan-2-ol
CID 45267665
(1S,2R)-1-(3-bromophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483061
(1S,2R)-1-(7-chloro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483062
(1S,2R)-1-(3-fluorophenyl)-1-(4-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483063
(1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-(3-(trifluoromethyl)phenyl)propan-2-ol
CID 45483068

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The IUPAC name of (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol (CID 45483113) is (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The canonical SMILES for (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol is CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2cccc(Br)c21.
What is the InChIKey of (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
The InChIKey is TUHQZGVWJDBKNN-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H18BrFN2O/c1-21-11-16(23)18(13-5-2-6-14(20)10-13)22-9-8-12-4-3-7-15(19)17(12)22/h2-10,16,18,21,23H,11H2,1H3/t16-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol?
(1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol has a molecular weight of 377.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(7-bromoindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 45483113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).