(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine

C15H13BrClFN2 — CID 156855920

IUPAC(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine
SMILESNCC1(c2ccccc2)Cc2c(cc(F)c(Cl)c2Br)N1
InChIInChI=1S/C15H13BrClFN2/c16-13-10-7-15(8-19,9-4-2-1-3-5-9)20-12(10)6-11(18)14(13)17/h1-6,20H,7-8,19H2
InChIKeyWDZLRJBRMWWGBJ-UHFFFAOYSA-N
MW355.64 g/mol
LogP4.06
Rot. Bonds2

About (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine

(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine (PubChem CID 156855920) has the molecular formula C15H13BrClFN2 and a molecular weight of 355.64 g/mol. Its IUPAC name is (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine
PubChem CID156855920
Molecular FormulaC15H13BrClFN2
Molecular Weight355.64 g/mol
Exact Mass353.99
IUPAC Name(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine
SMILESNCC1(c2ccccc2)Cc2c(cc(F)c(Cl)c2Br)N1
InChIInChI=1S/C15H13BrClFN2/c16-13-10-7-15(8-19,9-4-2-1-3-5-9)20-12(10)6-11(18)14(13)17/h1-6,20H,7-8,19H2
InChIKeyWDZLRJBRMWWGBJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine?
The IUPAC name of (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine (CID 156855920) is (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine is NCC1(c2ccccc2)Cc2c(cc(F)c(Cl)c2Br)N1.
What is the InChIKey of (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine?
The InChIKey is WDZLRJBRMWWGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2/c16-13-10-7-15(8-19,9-4-2-1-3-5-9)20-12(10)6-11(18)14(13)17/h1-6,20H,7-8,19H2.
What are the key properties of (4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine?
(4-bromo-5-chloro-6-fluoro-2-phenyl-1,3-dihydroindol-2-yl)methanamine has a molecular weight of 355.64 g/mol, XLogP of 4.06, 2 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-1,3-dihydroindol-2-yl)methanamine is sourced from PubChem (CID 156855920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).