N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H13BrFN — CID 43119403

IUPACN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(NC2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrFN/c16-13-9-11(17)6-8-15(13)18-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,18H,5,7H2
InChIKeyLWESOKIXRZPZJQ-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.69
Rot. Bonds2

About N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine

N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43119403) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43119403
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC NameN-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(NC2CCc3ccccc32)c(Br)c1
InChIInChI=1S/C15H13BrFN/c16-13-9-11(17)6-8-15(13)18-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,18H,5,7H2
InChIKeyLWESOKIXRZPZJQ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
N-(4-fluoro-2-iodophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79769381
N-(2,3-difluorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530973
N-(2,6-dibromophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107597542
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
N-(2-bromo-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 113315137
3-bromo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzoic acid
CID 82789255
8-bromo-N-(2-bromo-4-fluorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43772561
N-(2-bromo-4-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43742304
N-(5-bromo-4-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107591425
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107633285

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 43119403) is N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine is Fc1ccc(NC2CCc3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LWESOKIXRZPZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-13-9-11(17)6-8-15(13)18-14-7-5-10-3-1-2-4-12(10)14/h1-4,6,8-9,14,18H,5,7H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine?
N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 306.18 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).