N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine

C16H14BrClFN — CID 65024859

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Br)cc1CNC1c2ccccc2CC1Cl
InChIInChI=1S/C16H14BrClFN/c17-12-5-6-15(19)11(7-12)9-20-16-13-4-2-1-3-10(13)8-14(16)18/h1-7,14,16,20H,8-9H2
InChIKeyHFTYGBQJBAUFQP-UHFFFAOYSA-N
MW354.65 g/mol
LogP4.58
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine

N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine (PubChem CID 65024859) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
PubChem CID65024859
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Br)cc1CNC1c2ccccc2CC1Cl
InChIInChI=1S/C16H14BrClFN/c17-12-5-6-15(19)11(7-12)9-20-16-13-4-2-1-3-10(13)8-14(16)18/h1-7,14,16,20H,8-9H2
InChIKeyHFTYGBQJBAUFQP-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine
CID 65024641
2-chloro-N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-amine
CID 115518416
2-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 65024916
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404945
3-[(5-bromo-2-fluorophenyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61299065
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-bromophenyl)cyclobutan-1-amine
CID 63455619
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 112651365
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112725710
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-(3-fluorophenyl)acetamide
CID 114302053
N-[(5-bromo-2-fluorophenyl)methyl]-1-oxothian-4-amine
CID 54981395
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine (CID 65024859) is N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine is Fc1ccc(Br)cc1CNC1c2ccccc2CC1Cl.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HFTYGBQJBAUFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-12-5-6-15(19)11(7-12)9-20-16-13-4-2-1-3-10(13)8-14(16)18/h1-7,14,16,20H,8-9H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 354.65 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65024859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).