1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine

C15H13BrF2N2 — CID 106264339

IUPAC1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF2N2/c16-12-2-3-13(17)11(15(12)18)8-20-6-5-9-7-10(19)1-4-14(9)20/h1-4,7H,5-6,8,19H2
InChIKeyZZKYTKKKQNXQKS-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.87
Rot. Bonds2

About 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine

1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine (PubChem CID 106264339) has the molecular formula C15H13BrF2N2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
PubChem CID106264339
Molecular FormulaC15H13BrF2N2
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine
SMILESNc1ccc2c(c1)CCN2Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF2N2/c16-12-2-3-13(17)11(15(12)18)8-20-6-5-9-7-10(19)1-4-14(9)20/h1-4,7H,5-6,8,19H2
InChIKeyZZKYTKKKQNXQKS-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-6-amine
CID 106264340
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-7-amine
CID 106264354
1-[(3-bromo-2,6-difluorophenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 106269290
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 106264362
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081
2-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 106268410
1-[(3-bromo-2,6-difluorophenyl)methyl]azocan-2-one
CID 106269349
1-[(3-bromo-4-fluorophenyl)methyl]-5-methyl-2,3-dihydroindol-6-amine
CID 83213115
1-[(3-bromo-2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106274018
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 106269330
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine?
The IUPAC name of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine (CID 106264339) is 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine is Nc1ccc2c(c1)CCN2Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine?
The InChIKey is ZZKYTKKKQNXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2/c16-12-2-3-13(17)11(15(12)18)8-20-6-5-9-7-10(19)1-4-14(9)20/h1-4,7H,5-6,8,19H2.
What are the key properties of 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine?
1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine has a molecular weight of 339.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 106264339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).