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

C17H17BrFN — CID 81369563

IUPAC5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2cc(Br)ccc21)c1cccc(F)c1
InChIInChI=1S/C17H17BrFN/c1-11(12-3-2-4-15(19)10-12)20-17-8-5-13-9-14(18)6-7-16(13)17/h2-4,6-7,9-11,17,20H,5,8H2,1H3/t11-,17?/m1/s1
InChIKeyRFPFUADMNLRTRM-VCQTYVLVSA-N
MW334.23 g/mol
LogP4.93
Rot. Bonds3

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

5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 81369563) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID81369563
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@@H](NC1CCc2cc(Br)ccc21)c1cccc(F)c1
InChIInChI=1S/C17H17BrFN/c1-11(12-3-2-4-15(19)10-12)20-17-8-5-13-9-14(18)6-7-16(13)17/h2-4,6-7,9-11,17,20H,5,8H2,1H3/t11-,17?/m1/s1
InChIKeyRFPFUADMNLRTRM-VCQTYVLVSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 61070069
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
5-fluoro-N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 115710200
N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115663658
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 81382181
N-[1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842289
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 63455836
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
N-[(1R)-1-(2-chlorophenyl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104889840

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 81369563) is 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is C[C@@H](NC1CCc2cc(Br)ccc21)c1cccc(F)c1.
What is the InChIKey of 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RFPFUADMNLRTRM-VCQTYVLVSA-N. The full InChI is InChI=1S/C17H17BrFN/c1-11(12-3-2-4-15(19)10-12)20-17-8-5-13-9-14(18)6-7-16(13)17/h2-4,6-7,9-11,17,20H,5,8H2,1H3/t11-,17?/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 334.23 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81369563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).