1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C16H17BrF2N2 — CID 63466270

IUPAC1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2c(F)cc(F)cc2Br)C(N)C1
InChIInChI=1S/C16H17BrF2N2/c1-16(2)7-13(20)10-3-4-21(14(10)8-16)15-11(17)5-9(18)6-12(15)19/h3-6,13H,7-8,20H2,1-2H3
InChIKeyFAPFMJHKZNWDAW-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.49
Rot. Bonds1

About 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63466270) has the molecular formula C16H17BrF2N2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63466270
Molecular FormulaC16H17BrF2N2
Molecular Weight355.23 g/mol
Exact Mass354.05
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2c(F)cc(F)cc2Br)C(N)C1
InChIInChI=1S/C16H17BrF2N2/c1-16(2)7-13(20)10-3-4-21(14(10)8-16)15-11(17)5-9(18)6-12(15)19/h3-6,13H,7-8,20H2,1-2H3
InChIKeyFAPFMJHKZNWDAW-UHFFFAOYSA-N
XLogP4.49
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 63466270) is 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2-c2c(F)cc(F)cc2Br)C(N)C1.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is FAPFMJHKZNWDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF2N2/c1-16(2)7-13(20)10-3-4-21(14(10)8-16)15-11(17)5-9(18)6-12(15)19/h3-6,13H,7-8,20H2,1-2H3.
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 355.23 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63466270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).