(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

C16H14BrF2NO — CID 106263043

IUPAC(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2cc(OCc3c(F)ccc(Br)c3F)ccc21
InChIInChI=1S/C16H14BrF2NO/c17-13-4-5-14(18)12(16(13)19)8-21-10-2-3-11-9(7-10)1-6-15(11)20/h2-5,7,15H,1,6,8,20H2/t15-/m1/s1
InChIKeyGBTCKBXIOPLRFK-OAHLLOKOSA-N
MW354.19 g/mol
LogP4.25
Rot. Bonds3

About (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 106263043) has the molecular formula C16H14BrF2NO and a molecular weight of 354.19 g/mol. Its IUPAC name is (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID106263043
Molecular FormulaC16H14BrF2NO
Molecular Weight354.19 g/mol
Exact Mass353.02
IUPAC Name(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2cc(OCc3c(F)ccc(Br)c3F)ccc21
InChIInChI=1S/C16H14BrF2NO/c17-13-4-5-14(18)12(16(13)19)8-21-10-2-3-11-9(7-10)1-6-15(11)20/h2-5,7,15H,1,6,8,20H2/t15-/m1/s1
InChIKeyGBTCKBXIOPLRFK-OAHLLOKOSA-N
XLogP4.25
TPSA35.25 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 ≤ 54.25
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

5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683060
5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683066
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
ethyl (1S,1aS,6aR)-4-[(3-bromo-2,6-difluorophenyl)methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 118182821
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
CID 106269934
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
CID 107902761
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683014
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067

Frequently Asked Questions

What is the IUPAC name of (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 106263043) is (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2cc(OCc3c(F)ccc(Br)c3F)ccc21.
What is the InChIKey of (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GBTCKBXIOPLRFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14BrF2NO/c17-13-4-5-14(18)12(16(13)19)8-21-10-2-3-11-9(7-10)1-6-15(11)20/h2-5,7,15H,1,6,8,20H2/t15-/m1/s1.
What are the key properties of (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 354.19 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106263043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).