4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine

C15H15BrClFN2 — CID 156855813

IUPAC4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine
SMILESCN.Fc1cc2c(c(Br)c1Cl)CC(c1ccccc1)N2
InChIInChI=1S/C14H10BrClFN.CH5N/c15-13-9-6-11(8-4-2-1-3-5-8)18-12(9)7-10(17)14(13)16;1-2/h1-5,7,11,18H,6H2;2H2,1H3
InChIKeySJXRPWSRJDPCJF-UHFFFAOYSA-N
MW357.65 g/mol
LogP4.53
Rot. Bonds1

About 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine

4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine (PubChem CID 156855813) has the molecular formula C15H15BrClFN2 and a molecular weight of 357.65 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine.

Molecular Properties

Compound Name4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine
PubChem CID156855813
Molecular FormulaC15H15BrClFN2
Molecular Weight357.65 g/mol
Exact Mass356.01
IUPAC Name4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine
SMILESCN.Fc1cc2c(c(Br)c1Cl)CC(c1ccccc1)N2
InChIInChI=1S/C14H10BrClFN.CH5N/c15-13-9-6-11(8-4-2-1-3-5-8)18-12(9)7-10(17)14(13)16;1-2/h1-5,7,11,18H,6H2;2H2,1H3
InChIKeySJXRPWSRJDPCJF-UHFFFAOYSA-N
XLogP4.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.65
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine
CID 156855920
6,7-difluoro-2-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 82156513
4,6-dichloro-2-(3-chlorophenyl)-2,3-dihydro-1H-indole
CID 4621294
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
5-fluoro-2-phenyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 162560182
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
ethyl (2Z)-2-(7-chloro-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate
CID 135023119
2-(3,4-difluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-indole
CID 5240308
(2R)-5-bromo-2-(4-chlorophenyl)-2,3-dihydro-1H-indole
CID 7017020
5-bromo-8-chloro-3-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 66158066
4,6-dimethyl-2-(4-methylphenyl)-2,3-dihydro-1H-indole
CID 5150094

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine?
The IUPAC name of 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine (CID 156855813) is 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine.
What is the SMILES notation for 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine?
The canonical SMILES for 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine is CN.Fc1cc2c(c(Br)c1Cl)CC(c1ccccc1)N2.
What is the InChIKey of 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine?
The InChIKey is SJXRPWSRJDPCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN.CH5N/c15-13-9-6-11(8-4-2-1-3-5-8)18-12(9)7-10(17)14(13)16;1-2/h1-5,7,11,18H,6H2;2H2,1H3.
What are the key properties of 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine?
4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine has a molecular weight of 357.65 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1H-indole;methanamine is sourced from PubChem (CID 156855813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).