N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H16BrClFN — CID 104776129

IUPACN-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C17H16BrClFN/c1-17(2)9-10-3-4-11(19)7-13(10)16(17)21-12-5-6-15(20)14(18)8-12/h3-8,16,21H,9H2,1-2H3
InChIKeyMLGGRYWDVYIKTF-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.98
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 104776129) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID104776129
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(F)c(Br)c1
InChIInChI=1S/C17H16BrClFN/c1-17(2)9-10-3-4-11(19)7-13(10)16(17)21-12-5-6-15(20)14(18)8-12/h3-8,16,21H,9H2,1-2H3
InChIKeyMLGGRYWDVYIKTF-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065922
6-chloro-N-(2,3-difluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066103
6-chloro-N-(4-chloro-2-iodophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 107631566
N-(5-chloro-2-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821346
6-chloro-N-(2,4-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065439
N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065761
6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067455
N-(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)-1-methylpyrazol-3-amine
CID 83067690
6-chloro-N-(dicyclopropylmethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066943
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-2-methylpropane-1,3-diol
CID 83066805
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 104776129) is N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is MLGGRYWDVYIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c1-17(2)9-10-3-4-11(19)7-13(10)16(17)21-12-5-6-15(20)14(18)8-12/h3-8,16,21H,9H2,1-2H3.
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 368.68 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 104776129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).