N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H14BrF2NO — CID 102852883

IUPACN-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(Br)c(F)cc1F)CC2
InChIInChI=1S/C16H14BrF2NO/c1-21-10-4-2-9-3-5-15(11(9)6-10)20-16-7-12(17)13(18)8-14(16)19/h2,4,6-8,15,20H,3,5H2,1H3
InChIKeyVZJGTZZKDBPMRN-UHFFFAOYSA-N
MW354.19 g/mol
LogP4.84
Rot. Bonds3

About N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 102852883) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID102852883
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(Br)c(F)cc1F)CC2
InChIInChI=1S/C16H14BrF2NO/c1-21-10-4-2-9-3-5-15(11(9)6-10)20-16-7-12(17)13(18)8-14(16)19/h2,4,6-8,15,20H,3,5H2,1H3
InChIKeyVZJGTZZKDBPMRN-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367032
N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231811
2-methoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 79366034

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 102852883) is N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1cc(Br)c(F)cc1F)CC2.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is VZJGTZZKDBPMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c1-21-10-4-2-9-3-5-15(11(9)6-10)20-16-7-12(17)13(18)8-14(16)19/h2,4,6-8,15,20H,3,5H2,1H3.
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 354.19 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102852883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).